Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL227516 | 0.79 | TAAR1 (0.59) | ALDH1A1TAAR1 | |
| SCHEMBL467238 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 | |
| SCHEMBL467216 | 0.77 | TAAR1 (0.54) | ALDH1A1CALM1TSHRTAAR1 | |
| Water SCHEMBL10445073 | 0.76 | TAAR1 (0.52) | ALDH1A1CALM1TSHRTAAR1 | |
| SCHEMBL1279836 | 0.73 | ALDH1A1 (0.58) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 | |
| SCHEMBL9491787 | 0.72 | CYP19A1 (0.68) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 | |
| SCHEMBL5252553 | 0.72 | ALDH1A1 (0.65) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 | |
| SCHEMBL11261073 | 0.71 | ALDH1A1 (0.55) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 | |
| 1,3,5-Trimethoxybenzene SCHEMBL28493 | 0.71 | ALDH1A1 (1.00) | ALDH1A1CYP19A1CYP1A1CYP1B1 | |
| SCHEMBL88823 | 0.70 | ALDH1A1 (0.61) | ALDH1A1CYP19A1CALM1AKR1B1CYP1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8022060-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-09-20 | — | — | US | disclosed |
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2011-09-08 | — | — | US | disclosed |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-02-04 | — | — | US | disclosed |
| US-7598261-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2009-10-06 | — | — | US | disclosed |
| US-20060270695-A1 | Spirocyclic heterocyclic derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2006-11-30 | — | — | US | disclosed |
| EP-0365863-B1 | Novel quinolyloxazole-2-ones useful as proteinkinase C inhibitors | MERRELL DOW PHARMA (US) | 1994-08-17 | — | — | EP | disclosed |
| EP-0428105-B1 | Use of quinolyl- and isoquinolyloxazole-2-ones for the production of a medicament for the prevention of glycoprotein enveloped virus infectivity | MERRELL DOW PHARMA (US) | 1994-01-19 | — | — | EP | disclosed |
| EP-0428107-B1 | Use of quinolyl-and isoquinolyloxanole-2-ones for the production of a medicament for the treatment of multi-drug resistant tumors | MERRELL DOW PHARMA (US) | 1994-01-19 | — | — | EP | disclosed |
| US-5190957-A | TREATMENT OF MULTI-DRUG RESISTANT TUMORS WITH QUINOLYL-AND ISOQUINOLYLOXAZOLE-2-ONES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-03-02 | — | — | US | disclosed |
| US-5061715-A | Useful in treating AIDS and ARC | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-29 | — | — | US | disclosed |
| US-4886811-A | HYPOTENSIVE AGENTS AND VASODILATORS | MERRELL DOW PHARMACEUTICALS (US) | 1989-12-12 | — | — | US | disclosed |
| US-4341906-A | ANALGESICS | PFIZER INC. (US) | 1982-07-27 | — | — | US | disclosed |
| US-4310669-A | TETRALONE | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310529-A | ANALGESICS | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310668-A | Intermediates to 1,9-dihydroxyoctahydrophenanthrenes | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4270005-A | ANALGESICS | PFIZER INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4268523-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4268692-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4237133-A | ANALGESICS | PFIZER INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4188495-A | 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor | PFIZER INC. (US) | 1980-02-12 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20110218186-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | ALDH1A1 259/4885CYP19A1 711/4885CALM1 1251/4885 |
| US-20100029614-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | ALDH1A1 259/4885CYP19A1 711/4885CALM1 1251/4885 |
| US-20060270695-A1 | Spirocyclic heterocyclic derivatives and methods of their use | OPRK1, OPRD1, OPRL1 | ALDH1A1 259/4885CYP19A1 711/4885CALM1 1251/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.