Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | BRD4 | O60885 | 9/20 | 0.42 |
| ▸ | TYMS | P04818 | 1/20 | 0.41 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9456163 | 0.88 | TYMS (0.46) | CYP2A6MAOAMAOBTYMSMEN1 | |
| SCHEMBL1151194 | 0.78 | PARP1 (0.55) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL5540741 | 0.78 | MAOA (0.50) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL29501042 | 0.78 | PARP1 (0.55) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL1151296 | 0.76 | BRD4 (0.49) | CYP2A6MAOAMAOBBRD4MRGPRX4 | |
| SCHEMBL1151120 | 0.76 | CYP2A6 (0.48) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL29466610 | 0.76 | CYP2A6 (0.48) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL1661783 | 0.76 | PARP10 (0.53) | CYP2A6MAOAMAOBBRD4MRGPRX4 | |
| SCHEMBL22479791 | 0.76 | MAOA (0.48) | CYP2A6MAOAMAOBBRD4TYMS | |
| SCHEMBL31318400 | 0.76 | MAOA (0.48) | CYP2A6MAOAMAOBBRD4TYMS |
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-3353167-B1 | MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2020-06-24 | — | — | EP | disclosed |
| WO-2017051353-A1 | MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-30 | — | — | WO | disclosed |
| WO-2017051354-A1 | MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2017-03-30 | — | — | WO | disclosed |