Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.67 |
| ▸ | RAB9A | P51151 | 3/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.67 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.61 |
| ▸ | FASN | P49327 | 9/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | ATM | Q13315 | 1/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL9680824 | 0.84 | NPC1 (0.72) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL18924334 | 0.82 | FASN (0.70) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL21316150 | 0.82 | MAPT (0.56) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL977466 | 0.82 | NPC1 (0.69) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL22259611 | 0.81 | HDAC6 (0.60) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL22221006 | 0.81 | FASN (0.54) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL22259669 | 0.81 | NPC1 (0.51) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL19466018 | 0.81 | LMNA (0.63) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| SCHEMBL11333471 | 0.81 | NPC1 (0.68) | NPC1RAB9AMAPTKDM4EALDH1A1 | |
| Benzoic Acid SCHEMBL11551976 | 0.81 | NPC1 (0.68) | NPC1RAB9AMAPTKDM4EALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020150423-A1 | METHODS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS | YUMANITY THERAPEUTICS, INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| US-9732032-B2 | 3-aminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-08-15 | — | — | US | disclosed |
| US-9670142-B2 | 1,3-diaminocyclopentane carboxamide derivatives | MERCK PATENT GMBH (DE) | 2017-06-06 | — | — | US | disclosed |