Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 3/20 | 0.31 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GBA1 | P04062 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | HRH2 | P25021 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11265198 | 0.93 | EPHX1 (0.35) | SIGMAR1HRH4HRH3ESR1EPHX1 | |
| SCHEMBL11264437 | 0.91 | SIGMAR1 (0.33) | SIGMAR1HRH4HRH3ESR1EPHX1 | |
| SCHEMBL11160453 | 0.90 | EPHX1 (0.35) | SIGMAR1HRH4HRH3ESR1EPHX1 | |
| SCHEMBL11172342 | 0.89 | HDAC6 (0.39) | ESR1AAK1LMNAGBA1CYP1A2 | |
| SCHEMBL11155609 | 0.89 | EPHX1 (0.34) | SIGMAR1HRH4HRH3ESR1EPHX1 | |
| SCHEMBL11149398 | 0.84 | HDAC6 (0.37) | ESR1EPHX1AAK1LMNAGBA1 | |
| SCHEMBL11155491 | 0.83 | HDAC6 (0.36) | ESR1AAK1LMNAGBA1CYP1A2 | |
| SCHEMBL11169948 | 0.81 | LMNA (0.46) | LMNAGBA1CYP1A2CYP2D6CNR1 | |
| SCHEMBL11272325 | 0.80 | MAPT (0.33) | AAK1KITMAPK14LMNAGBA1 | |
| SCHEMBL11405698 | 0.79 | PTGS2 (0.42) | LMNAHIF1APPM1DCYP3A4SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0024282-B1 | BENZOYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES | Dr. Karl Thomae GmbH (DE) | 1983-05-18 | — | — | EP | disclosed |
| US-4362738-A | ANTIINFLAMMATORIES | DR. KARL THOMAE GMBH (DE) | 1982-12-07 | — | — | US | disclosed |
| EP-0024282-A1 | Benzoyl derivatives, their preparation and their use as medicines | Dr. Karl Thomae GmbH (DE) | 1981-03-04 | — | — | EP | disclosed |