Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | OGA | O60502 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7658200 | 0.86 | MCL1 (0.47) | ADORA3ALDH1A1TSHRMAPK1HSD17B10 | |
| SCHEMBL7662426 | 0.84 | ADORA3 (0.43) | NPC1RAB9AADORA3ALDH1A1CYP1A2 | |
| SCHEMBL7662205 | 0.81 | SIRT2 (0.53) | NPC1RAB9AADORA3ALDH1A1LMNA | |
| SCHEMBL7663316 | 0.81 | GABRA1 (0.45) | NPC1RAB9AGABRA1GABRB2ADORA3 | |
| SCHEMBL7662979 | 0.80 | NPC1 (0.60) | NPC1RAB9AADORA3ALDH1A1LMNA | |
| SCHEMBL7659132 | 0.77 | KMT2A (0.62) | NPC1RAB9AALDH1A1LMNACYP1A2 | |
| SCHEMBL7655836 | 0.74 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL7655633 | 0.74 | GRM2 (0.43) | ALDH1A1TSHRKDM4ECTNNB1POLB | |
| SCHEMBL7656191 | 0.74 | CFTR (0.47) | NPC1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL7662218 | 0.73 | PTGS2 (0.42) | NPC1RAB9AALDH1A1LMNAMAPK1 |
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-6340704-B1 | TREATING NERVE DISEASE OR BONE/JOINT DISEASE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2002-01-22 | — | — | US | disclosed |