Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CCR3 | P51677 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29097833 | 0.81 | TAAR1 (0.60) | KMT2AMEN1NPC1RAB9ATAAR1 | |
| SCHEMBL28037614 | 0.80 | MEN1 (0.50) | KMT2AMEN1NPC1RAB9ATAAR1 | |
| SCHEMBL10700966 | 0.78 | NPC1 (0.55) | KMT2AMEN1NPC1RAB9AHPGD | |
| SCHEMBL27973340 | 0.78 | KMT2A (0.52) | KMT2AMEN1NPC1RAB9ATAAR1 | |
| SCHEMBL2310135 | 0.78 | MEN1 (0.49) | KMT2AMEN1NPC1RAB9ATAAR1 | |
| SCHEMBL17462497 | 0.77 | MEN1 (0.48) | KMT2AMEN1NPC1RAB9ATAAR1 | |
| SCHEMBL2093881 | 0.73 | HTR1A (0.52) | HPGDHSP90AA1CYP3A4 | |
| SCHEMBL30468424 | 0.71 | CA1 (0.54) | RAB9APOLBALDH1A1HTT | |
| SCHEMBL228947 | 0.71 | CA1 (0.54) | RAB9APOLBALDH1A1HTT | |
| SCHEMBL5767226 | 0.71 | MEN1 (0.43) | KMT2AMEN1NPC1RAB9ATAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105017246-A | Benzo-azepine compound and preparation method and medicine application thereof | UNIV FUDAN | 2015-11-04 | — | — | CN | disclosed |