Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6651561 | 0.75 | NPC1 (0.33) | NPC1RAB9APOLBPTPN2PTPN1 | |
| SCHEMBL6696965 | 0.70 | TP53 (0.34) | TSHRMAPK1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL6062927 | 0.68 | REN (0.37) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL6062924 | 0.68 | REN (0.37) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL6062920 | 0.68 | REN (0.37) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL6629735 | 0.63 | FOLH1 (0.37) | NPC1RAB9AALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL6692449 | 0.62 | CTSC (0.48) | ALDH1A1HPGDMEN1CYP2C19KMT2A | |
| SCHEMBL6692447 | 0.62 | CTSC (0.48) | ALDH1A1HPGDMEN1CYP2C19KMT2A | |
| SCHEMBL6630423 | 0.62 | CTSC (0.48) | ALDH1A1HPGDMEN1CYP2C19KMT2A | |
| SCHEMBL11576274 | 0.61 | RAB9A (0.48) | NPC1RAB9AALDH1A1MAPTKDM4E |
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-1397340-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-03-17 | — | — | EP | disclosed |
| WO-2002098850-A2 | CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2002-12-12 | — | — | WO | disclosed |