Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSPA5 | P11021 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 7/20 | 0.42 |
| ▸ | CA2 | P00918 | 7/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 5/20 | 0.41 |
| ▸ | MPO | P05164 | 2/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25620316 | 0.84 | HSPA5 (0.52) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL9208943 | 0.79 | TAAR1 (0.50) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL28738484 | 0.78 | ALDH1A1 (0.47) | TAAR1IDO1MPONPC1ALDH1A1 | |
| Catechol SCHEMBL10950941 | 0.77 | MAOB (0.50) | TSHRHIF1ACA12CA2IDO1 | |
| SCHEMBL28370304 | 0.77 | CTBP2 (0.44) | TSHRTAAR1ALDH1A1MAPTHPGD | |
| SCHEMBL3636312 | 0.77 | TAAR1 (0.42) | TSHRCYP2D6TAAR1IDO1HSD17B10 | |
| SCHEMBL9803606 | 0.77 | GABRA1 (0.41) | ALDH1A1MAPTL3MBTL1 | |
| SCHEMBL11437846 | 0.77 | HSPA5 (0.59) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL10527927 | 0.77 | HSPA5 (0.59) | HSPA5TSHRHIF1ACYP2D6TAAR1 | |
| SCHEMBL9283989 | 0.76 | HSPA5 (0.43) | HSPA5TSHRHIF1ACYP2D6TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0539578-B1 | COPPER-CONTAINING ORGANOMETALLIC COMPLEXES AND CONCENTRATES AND DIESEL FUELS CONTAINING SAME | LUBRIZOL CORP (US) | 1996-02-28 | — | — | EP | claimed |
| EP-1278741-A1 | MUSCARINIC AGONISTS | Acadia Pharmaceuticals Inc. (US) | 2003-01-29 | — | — | EP | disclosed |
| WO-2001083472-A1 | MUSCARINIC AGONISTS | ACADIA PHARMACEUTICALS, INC. (US) | 2001-11-08 | — | — | WO | disclosed |