Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.35 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 2/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8657835 | 0.85 | TYR (0.38) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL780340 | 0.81 | GPR35 (0.38) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL882918 | 0.80 | NR4A2 (0.42) | CA12CA1CA9CA2MAP2K2 | |
| SCHEMBL2495583 | 0.78 | GPR35 (0.39) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL7052816 | 0.78 | MAOA (0.36) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL29190982 | 0.76 | GPR35 (0.37) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL7883971 | 0.75 | KDM4E (0.34) | CA12CA1CA9CA2MAP2K2 | |
| SCHEMBL16372656 | 0.74 | GPR35 (0.36) | GPR35CA12CA1CA9CA2 | |
| SCHEMBL370476 | 0.74 | TDP1 (0.45) | GPR35MAP2K2MAP2K1HSD17B10KDM4E | |
| SCHEMBL17700941 | 0.72 | MCL1 (0.39) | GPR35CA12CA1CA9CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038904-A1 | NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF | SANOFI (FR) | 2012-03-29 | — | — | WO | disclosed |