Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.60 |
| ▸ | RAB9A | P51151 | 2/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | GLA | P06280 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.60 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | AKR1B10 | O60218 | 3/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14694691 | 0.88 | HCAR2 (0.61) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL3291000 | 0.85 | LMNA (0.54) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL14694692 | 0.84 | HCAR2 (0.58) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| Phenylethyl Carbamate SCHEMBL111316 | 0.84 | LMNA (0.79) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL6133454 | 0.81 | ESR1 (0.57) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL4676018 | 0.81 | HCAR2 (0.54) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL14468428 | 0.81 | HCAR2 (0.54) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL11141590 | 0.81 | HCAR2 (0.54) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL9430721 | 0.81 | LMNA (0.68) | NPC1RAB9ATDP1L3MBTL1ALDH1A1 | |
| SCHEMBL2171004 | 0.80 | ALDH1A1 (0.59) | TDP1L3MBTL1ALDH1A1MAPK1SMN1; SMN2 |
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-2002018321-A2 | AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS | ABBOTT LABORATORIES (US) | 2002-03-07 | — | — | WO | claimed |
| EP-3436462-A1 | COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF | Merck Patent GmbH (DE) | 2019-02-06 | — | — | EP | disclosed |
| WO-2017173049-A1 | COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-10-05 | — | — | WO | disclosed |