Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 11/20 | 0.55 |
| ▸ | HPGD | P15428 | 8/20 | 0.55 |
| ▸ | GLA | P06280 | 6/20 | 0.55 |
| ▸ | CASP1 | P29466 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.55 |
| ▸ | CASP7 | P55210 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.50 |
| ▸ | KLK7 | P49862 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4256584 | 0.92 | CYP19A1 (0.59) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL4254040 | 0.90 | KMT2A (0.55) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL4254038 | 0.90 | KMT2A (0.55) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL4499535 | 0.89 | ALDH1A1 (0.64) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL4499539 | 0.89 | ALDH1A1 (0.64) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL10258380 | 0.88 | KMT2A (0.53) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL471290 | 0.87 | KMT2A (0.74) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL21467195 | 0.87 | KMT2A (0.59) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL3494575 | 0.87 | KMT2A (0.62) | KMT2AALDH1A1KDM4EHPGDGLA | |
| SCHEMBL3494576 | 0.87 | KMT2A (0.62) | KMT2AALDH1A1KDM4EHPGDGLA |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2012-06-28 | — | — | US | disclosed |
| US-8071611-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2011-12-06 | — | — | US | disclosed |
| US-20100280058-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-11-04 | — | — | US | disclosed |
| US-20100222374-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | ADOLOR CORPORATION (US) | 2010-09-02 | — | — | US | disclosed |
| US-7638527-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2009-12-29 | — | — | US | disclosed |
| US-20090270435-A1 | Spiroketone Acetyl-CoA Carboxylase Inhibitors | CORBETT JEFFREY WAYNE | 2009-10-29 | — | — | US | disclosed |
| EP-2097420-A1 | SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS | Pfizer Products Inc. (US) | 2009-09-09 | — | — | EP | disclosed |
| WO-2008065508-A1 | SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS | PFIZER PRODUCTS INC. (US) | 2008-06-05 | — | — | WO | disclosed |
| US-20080102031-A1 | Spirocyclic Heterocyclic Derivatives And Methods Of Their Use | ADOLOR CORPORATION (US) | 2008-05-01 | — | — | US | disclosed |
| US-7338962-B2 | Spirocyclic heterocyclic derivatives and methods of their use | ADOLOR CORPORATION (US) | 2008-03-04 | — | — | 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 (5 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-20100222374-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | KMT2A 2918/4885ALDH1A1 259/4885KDM4E 4218/4885 |
| US-20090270435-A1 | Spiroketone Acetyl-CoA Carboxylase Inhibitors | ACACA, PC, ACACB | KMT2A 2243/4885ALDH1A1 212/4885KDM4E 1062/4885 |
| US-20080102031-A1 | Spirocyclic Heterocyclic Derivatives And Methods Of Their Use | OPRK1, OPRD1, OPRL1 | KMT2A 2918/4885ALDH1A1 259/4885KDM4E 4218/4885 |
| US-20120165356-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | KMT2A 2918/4885ALDH1A1 259/4885KDM4E 4218/4885 |
| US-20100280058-A1 | SPIROCYCLIC HETEROCYCLIC DERIVATIVES AND METHODS OF THEIR USE | OPRK1, OPRD1, OPRL1 | KMT2A 2918/4885ALDH1A1 259/4885KDM4E 4218/4885 |
“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.