Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL11155491 | 0.99 | HDAC6 (0.36) | HDAC6ESR1HDAC3HDAC1HDAC8 | |
| SCHEMBL11172342 | 0.93 | HDAC6 (0.39) | HDAC6ESR1HDAC3HDAC1HDAC8 | |
| SCHEMBL11265198 | 0.89 | EPHX1 (0.35) | ESR1EPHX1 | |
| SCHEMBL11153209 | 0.87 | LMNA (0.44) | ESR1HDAC1MEN1KMT2APOLB | |
| SCHEMBL11153059 | 0.86 | LMNA (0.43) | ESR1HDAC1MEN1KMT2APOLB | |
| SCHEMBL11168503 | 0.84 | SIGMAR1 (0.34) | ESR1HDAC3HDAC1HDAC2MEN1 | |
| SCHEMBL11160453 | 0.82 | EPHX1 (0.35) | ESR1EPHX1 | |
| SCHEMBL11155609 | 0.81 | EPHX1 (0.34) | ESR1EPHX1 | |
| SCHEMBL11265195 | 0.80 | ESR1 (0.36) | ESR1LMNAGBA1CYP1A2CYP2D6 | |
| SCHEMBL11156879 | 0.80 | ESR1 (0.42) | ESR1LMNACYP1A2CYP3A4TSHR |
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 |