Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9528114 | 0.82 | CYP2C9 (0.39) | CYP2C9SMN1; SMN2POLBLMNATSHR | |
| SCHEMBL9532029 | 0.80 | KDM4E (0.42) | CYP2C9CTNNB1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL9529562 | 0.80 | KDM4E (0.42) | CTNNB1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL9527237 | 0.78 | KMT2A (0.37) | CYP2C9KDM4EPOLBLMNATSHR | |
| SCHEMBL23366565 | 0.76 | KDM4E (0.49) | CTNNB1KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL9530012 | 0.75 | KDM4E (0.42) | CYP2C9KDM4ESMN1; SMN2NPC1RAB9A | |
| SCHEMBL9529276 | 0.75 | ALDH1A1 (0.46) | CYP2C9KDM4EPOLBNPC1RAB9A | |
| SCHEMBL9532053 | 0.75 | NPC1 (0.43) | CYP2C9CTNNB1KDM4ESMN1; SMN2NPC1 | |
| SCHEMBL27428651 | 0.72 | ESR1 (0.44) | CYP2C9CTNNB1KDM4ESMN1; SMN2ESR1 | |
| SCHEMBL9529150 | 0.70 | CYP4F2 (0.41) | KDM4ESMN1; SMN2NPC1RAB9ALMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0167919-B1 | BENZODIAZEPINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1993-05-05 | — | — | EP | claimed |