Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | PKM | P14618 | 2/20 | 0.42 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 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 | |
|---|---|---|---|---|
| SCHEMBL7657314 | 0.72 | MAOB (0.43) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL29531707 | 0.72 | NPC1 (0.69) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL824375 | 0.72 | NPC1 (0.69) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL482462 | 0.70 | KDM4E (0.34) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL4747222 | 0.69 | MAOA (0.39) | TP53 | |
| SCHEMBL2140405 | 0.69 | ALDH1A1 (0.49) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL31170 | 0.65 | NPC1 (0.81) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL171055 | 0.65 | TOP2A (0.62) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL21674121 | 0.65 | NPC1 (0.63) | NPC1ALDH1A1RAB9AHSD17B10HPGD | |
| SCHEMBL29504749 | 0.65 | TOP2A (0.62) | NPC1ALDH1A1RAB9AHSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001074793-A2 | SUBSTITUTED THIAZOLES AND THE USE THEREOF AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR-1 | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-10-11 | — | — | WO | disclosed |