Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PIM1 | P11309 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TTR | P02766 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL17338672 | 0.81 | ALDH1A1 (0.51) | ALDH1A1NPSR1TSHRPIM1NPC1 | |
| SCHEMBL741818 | 0.80 | CA12 (0.56) | ALDH1A1TSHRNPC1KDM4EHPGD | |
| SCHEMBL19957254 | 0.80 | FTO (0.44) | ALDH1A1PIM1NPC1KDM4EHPGD | |
| SCHEMBL204082 | 0.80 | PIM1 (0.54) | ALDH1A1NPSR1TSHRPIM1NPC1 | |
| SCHEMBL24170723 | 0.78 | MAOB (0.55) | NPC1HPGDHSD17B10RAB9ATP53 | |
| SCHEMBL29918465 | 0.78 | MAOB (0.55) | NPC1HPGDHSD17B10RAB9ATP53 | |
| SCHEMBL13543149 | 0.77 | ALDH1A1 (0.45) | ALDH1A1NPSR1TSHRPIM1NPC1 | |
| SCHEMBL743289 | 0.77 | CA12 (0.53) | ALDH1A1NPC1KDM4EHPGDHSD17B10 | |
| SCHEMBL27929427 | 0.76 | PIM1 (0.43) | HSP90AB1ALDH1A1NPSR1TSHRPIM1 | |
| SCHEMBL16448790 | 0.76 | HSD17B3 (0.60) | ALDH1A1NPSR1PIM1NPC1KDM4E |
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-7645771-B2 | CCR5 antagonists as therapeutic agents | SMITHKLINE BEECHAM CORP. (US) | 2010-01-12 | — | — | US | disclosed |