Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | MDM4 | O15151 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CETP | P11597 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.43 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | ACLY | P53396 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27879335 | 0.81 | NPC1 (0.66) | NPC1RAB9APOLBHPGDACLY | |
| SCHEMBL27848619 | 0.79 | NPC1 (0.48) | NPC1RAB9APTPN1PTPN2PTPN6 | |
| SCHEMBL27879328 | 0.79 | ADORA1 (0.43) | RAB9AADORA1TP53MDM4L3MBTL1 | |
| SCHEMBL27786187 | 0.78 | PTPN1 (0.58) | PTPN1PTPN2PTPN6PTGER4ALDH1A1 | |
| SCHEMBL14058702 | 0.77 | NPC1 (0.57) | NPC1RAB9ATP53MDM4L3MBTL1 | |
| SCHEMBL27879326 | 0.76 | KMT2A (0.58) | NPC1RAB9APTGER4ACLYMEN1 | |
| SCHEMBL14784538 | 0.73 | PTPN1 (0.53) | PTPN1PTPN2PTPN6PTGER4AKR1C2 | |
| SCHEMBL27802682 | 0.73 | PTPN1 (0.46) | PTPN1PTPN2PTPN6PTGER4AKR1C2 | |
| SCHEMBL28796381 | 0.72 | AVPR2 (0.56) | NPC1RAB9ATP53PTGER4ACLY | |
| SCHEMBL3467831 | 0.72 | PTPN1 (0.51) | PTPN1PTPN2PTPN6PTGER4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102574778-A | Novel biphenyl and phenyl-pyridine amides | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | claimed |
| CN-102574778-A | Novel biphenyl and phenyl-pyridine amides | HOFFMANN LA ROCHE | 2012-07-11 | — | — | CN | disclosed |