Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | APLNR | P35414 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.32 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8583057 | 0.85 | HMGCR (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8482598 | 0.80 | ACHE (0.40) | PTGS2ALDH1A1CYP3A4TAAR1CYP2C9 | |
| SCHEMBL15063740 | 0.80 | PTGS2 (0.50) | CA2PTGS2ALDH1A1TAAR1 | |
| SCHEMBL15063869 | 0.80 | ALDH1A1 (0.33) | ALDH1A1CYP1A2CDK4CCND1GSK3B | |
| SCHEMBL8859955 | 0.75 | LTA4H (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL7668554 | 0.75 | TUBB4A (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7722657 | 0.73 | CALM1 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL1810937 | 0.72 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL743497 | 0.72 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2235124 | 0.71 | CA12 (0.41) | CA12CA1CA2CA7CA9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0986560-B1 | PYRROLO 2,1,5-CD]INDOLIZINE DERIVATIVES USEFUL IN THE PREVENTION OR TREATMENT OF ESTROGEN RELATED DISEASES OR SYNDROMES | KAROBIO AB (SE) | 2004-03-24 | — | — | EP | claimed |
| US-6004988-A | Carboxylic acid derivatives, their preparation and their use | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |