Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8254 | 0.78 | NPC1 (0.56) | NPC1RAB9AATMMAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL9032 | 0.77 | NPC1 (0.55) | NPC1RAB9AATMMAPTHSD17B10 | |
| SCHEMBL30680218 | 0.75 | NPC1 (0.56) | NPC1RAB9AATMMAPTHSD17B10 | |
| SCHEMBL7856 | 0.75 | NPC1 (0.56) | NPC1RAB9AATMMAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL29651829 | 0.74 | NPC1 (0.55) | NPC1RAB9AATMMAPTHSD17B10 | |
| Hydrochloric Acid SCHEMBL9337 | 0.74 | NPC1 (0.55) | NPC1RAB9AATMMAPTHSD17B10 | |
| SCHEMBL8883075 | 0.72 | MAOB (0.57) | NPC1RAB9AATMMAPTHSD17B10 | |
| SCHEMBL29096698 | 0.72 | EYA3 (0.60) | CYP2C9 | |
| SCHEMBL17883696 | 0.71 | HTR7 (0.44) | — | |
| SCHEMBL11777344 | 0.70 | CA1 (0.54) | MAPTHSD17B10ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004019933-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | claimed |
| WO-2004019933-A1 | METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS | PHARMACIA & UPJOHN COMPANY (US) | 2004-03-11 | — | — | WO | disclosed |