Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | CALM1 | P0DP23 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.39 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.39 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.39 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.39 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL627823 | 0.97 | ALDH1A1 (0.58) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL1742765 | 0.92 | ALDH1A1 (0.50) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL13490528 | 0.85 | CALM1 (0.51) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL29774677 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL10185738 | 0.84 | PTGS2 (0.48) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL1936578 | 0.84 | TACR1 (0.44) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL1346989 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL29359230 | 0.82 | CYP4F2 (0.41) | ALDH1A1CYP19A1CALM1TSHRMAPK1 | |
| SCHEMBL30279788 | 0.82 | CALM1 (0.59) | ALDH1A1CALM1AKR1B1CYP1A1CYP1B1 | |
| SCHEMBL1662528 | 0.82 | CYP4F2 (0.41) | ALDH1A1CYP19A1CALM1TSHRMAPK1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104610057-A | Method for synthesizing acetyl-trans-resveratrol | SECOND PHARMA CO LTD | 2015-05-13 | — | — | CN | disclosed |
| EP-2399577-A1 | Use of N-containing spirocompounds for the enhancement of cognitive function | Adolor Corporation (US) | 2011-12-28 | — | — | EP | disclosed |
| 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 |
| EP-2063886-A2 | USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION | Adolor Corporation (US) | 2009-06-03 | — | — | EP | disclosed |
| US-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CALIXA THERAPEUTICS, INC. | 2008-05-22 | — | — | US | disclosed |
| WO-2008033299-A2 | USE OF N-CONTAINING SPIROCOMPOUNDS FOR THE ENHANCEMENT OF COGNITIVE FUNCTION | ADOLOR CORPORATION (US) | 2008-03-20 | — | — | WO | disclosed |
| EP-1871761-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | Adolor Corporation (US) | 2008-01-02 | — | — | EP | disclosed |
| US-20060270695-A1 | Spirocyclic heterocyclic derivatives and methods of their use | CUBIST PHARMACEUTICALS, INC. | 2006-11-30 | — | — | US | disclosed |
| WO-2006105442-A2 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2006-10-05 | — | — | WO | 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 (4 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-20080119452-A1 | METHODS FOR ENHANCING COGNITIVE FUNCTION | CHAT, GRIN2C, GRIN2A | ALDH1A1 1162/4885CYP19A1 1406/4885CALM1 391/4885 |
| 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.