Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSPO | P30536 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6686701 | 0.86 | TSPO (0.51) | TSPOALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL1046327 | 0.86 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL11315869 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL4276628 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL3048454 | 0.82 | TSPO (0.49) | TSPOALDH1A1KDM4EHPGDMAPT | |
| SCHEMBL9150443 | 0.82 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL15240 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL18158039 | 0.81 | ALDH1A1 (0.56) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL1805157 | 0.81 | KDM4E (0.51) | ALDH1A1KDM4EHPGDMAPTGAA | |
| SCHEMBL22532257 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KDM4EHPGDMAPTGAA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2037924-A2 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | Govek, Steven P. (US) | 2009-03-25 | — | — | EP | disclosed |
| WO-2008006050-A2 | BICYCLIC HETEROARYL INHIBITORS OF PDE4 | GOVEK STEVEN P (US) | 2008-01-10 | — | — | WO | disclosed |
| EP-1165039-A2 | DERMATOLOGICAL TOPICAL COMPOSITION | Pentapharm A.G. (CH) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000057840-A2 | DERMATOLOGICAL TOPICAL COMPOSITION | PENTAPHARM AG (CH) | 2000-10-05 | — | — | WO | disclosed |