Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15332558 | 0.75 | ALDH1A1 (0.44) | NPC1GAAALDH1A1TP53TSHR | |
| SCHEMBL12798235 | 0.73 | — | — | |
| SCHEMBL9224636 | 0.71 | DRD2 (0.77) | NPC1ALDH1A1TP53KDM4EHSD17B10 | |
| SCHEMBL25933169 | 0.69 | MAPT (0.63) | NPC1GAAALDH1A1TP53KDM4E | |
| SCHEMBL9223422 | 0.67 | NPC1 (0.55) | NPC1GAAALDH1A1SMN1; SMN2HPGD | |
| SCHEMBL17198678 | 0.67 | ALDH1A1 (0.34) | ALDH1A1TP53TSHRKDM4ESMN1; SMN2 | |
| SCHEMBL12531412 | 0.65 | ALDH1A1 (0.43) | NPC1GAAALDH1A1KDM4EHSD17B10 | |
| SCHEMBL13006850 | 0.62 | NPC1 (0.37) | NPC1GAAALDH1A1TSHRKDM4E | |
| SCHEMBL9972652 | 0.62 | — | — | |
| SCHEMBL11606834 | 0.61 | ALDH1A1 (0.60) | NPC1GAAALDH1A1KDM4ETDP1 |
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-4178253-A | 1,2,4-TRIAZOLE COMPOUNDS | CIBA-GEIGY CORPORATION (US) | 1979-12-11 | — | — | US | disclosed |