Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 7/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL13984721 | 0.81 | KMT2A (0.45) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL3635501 | 0.79 | SCD5 (0.48) | NPC1TP53SMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11373237 | 0.79 | ALDH1A1 (0.44) | NPC1SMN1; SMN2ALDH1A1TSHRHPGD | |
| SCHEMBL11373238 | 0.79 | ALDH1A1 (0.44) | NPC1SMN1; SMN2ALDH1A1TSHRHPGD | |
| SCHEMBL3635503 | 0.77 | HSD17B10 (0.43) | NPC1RAB9ATP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL7602039 | 0.73 | SETD7 (0.61) | RAB9AALDH1A1MAOBCYP1A2CYP2C9 | |
| SCHEMBL10177456 | 0.69 | ALDH1A1 (0.50) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11196553 | 0.68 | ALDH1A1 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD | |
| SCHEMBL11745677 | 0.67 | CYP2D6 (0.57) | ALDH1A1TSHRHPGDCYP1A2CYP3A4 | |
| SCHEMBL7074497 | 0.65 | MEN1 (0.62) | NPC1RAB9ASMN1; SMN2ALDH1A1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010039911-A1 | CALCILYTIC COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-04-08 | — | — | WO | disclosed |
| WO-2010039911-A1 | CALCILYTIC COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-04-08 | — | — | WO | disclosed |