Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.49 |
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | TP53 | P04637 | 3/20 | 0.49 |
| ▸ | USP2 | O75604 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15925461 | 0.83 | ALOX15 (0.52) | NPC1RAB9ASMN1; SMN2MAPTAR | |
| SCHEMBL15925460 | 0.83 | AR (0.51) | NPC1RAB9ASMN1; SMN2MAPTAR | |
| SCHEMBL15925455 | 0.82 | AR (0.52) | NPC1RAB9ASMN1; SMN2ARALDH1A1 | |
| SCHEMBL626929 | 0.82 | PIK3CD (0.52) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL626884 | 0.82 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL15925462 | 0.81 | SMN1; SMN2 (0.49) | NPC1RAB9ASMN1; SMN2TP53AR | |
| SCHEMBL15925464 | 0.81 | SMN1; SMN2 (0.50) | NPC1RAB9ASMN1; SMN2ARALDH1A1 | |
| SCHEMBL15925467 | 0.80 | HSD17B10 (0.46) | NPC1RAB9ASMN1; SMN2MAPTTP53 | |
| SCHEMBL15925479 | 0.80 | AR (0.44) | NPC1RAB9ASMN1; SMN2MAPTAR | |
| SCHEMBL15925468 | 0.80 | AR (0.44) | NPC1RAB9ASMN1; SMN2MAPTAR |
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 |
|---|---|---|---|---|---|---|---|
| US-8796268-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-08-05 | — | — | US | disclosed |