Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | GRM5 | P41594 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL3662804 | 0.81 | CYP3A4 (0.58) | CYP2A6CYP19A1TP53TSHRALDH1A1 | |
| SCHEMBL18679985 | 0.79 | CYP2A6 (0.63) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18680032 | 0.79 | CYP19A1 (0.59) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL24492812 | 0.79 | CYP2A6 (0.62) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14297271 | 0.78 | CYP19A1 (0.63) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL12068486 | 0.76 | CYP2A6 (0.79) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL17306691 | 0.76 | CYP19A1 (0.55) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14297248 | 0.75 | CYP2A6 (0.66) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL14297307 | 0.75 | CYP19A1 (0.58) | CYP2A6CYP19A1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL18680004 | 0.75 | CYP2A6 (0.56) | CYP2A6CYP19A1NPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2242742-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2010-10-27 | — | — | EP | disclosed |
| WO-2009087212-A2 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2009-07-16 | — | — | WO | disclosed |