Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | ACHE | P22303 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | FDFT1 | P37268 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28710267 | 0.73 | HRH3 (0.46) | HRH3ACHEKDM4EALDH1A1SIGMAR1 | |
| SCHEMBL21836003 | 0.72 | CHRNB2 (0.40) | SIGMAR1NPC1RAB9A | |
| SCHEMBL7255775 | 0.69 | HRH3 (0.46) | HRH3ACHETMEM97CARM1PRMT6 | |
| SCHEMBL22462953 | 0.68 | NPC1 (0.35) | ACHEALDH1A1NPC1RAB9A | |
| SCHEMBL22462978 | 0.66 | BCHE (0.33) | ACHENPC1RAB9A | |
| SCHEMBL7101424 | 0.66 | SPHK2 (0.40) | HRH3 | |
| SCHEMBL28598923 | 0.66 | TSHR (0.50) | ALDH1A1LMNASIGMAR1 | |
| SCHEMBL1769465 | 0.65 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9A | |
| SCHEMBL6379511 | 0.65 | SMN1; SMN2 (0.48) | ALDH1A1NPC1RAB9A | |
| SCHEMBL28787818 | 0.65 | SIGMAR1 (0.40) | KDM4EALDH1A1SIGMAR1NPC1RAB9A |
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-6660738-B2 | Such as (3R,5S)-1-pyrimidin-2-yl-5-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-3 -thiol trifluoro-acetate useful as inhibitors of metalloproteases for treating diseases associated with vasoconstriction | HOFFMANN-LA ROCHE INC. | 2003-12-09 | — | — | US | disclosed |