Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.35 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.33 |
| ▸ | KMO | O15229 | 2/20 | 0.32 |
| ▸ | NOS3 | P29474 | 4/20 | 0.32 |
| ▸ | NOS1 | P29475 | 4/20 | 0.32 |
| ▸ | NOS2 | P35228 | 4/20 | 0.32 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP7 | P55210 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9715933 | 0.80 | ALDH1A1 (0.40) | IDO1USP2HPGDKMT2A | |
| SCHEMBL9716015 | 0.79 | AHR (0.33) | AHR | |
| SCHEMBL9715935 | 0.77 | IDO1 (0.61) | IDO1KMONOS3NOS1NOS2 | |
| SCHEMBL9715996 | 0.77 | KMO (0.54) | IDO1KMONOS3NOS1NOS2 | |
| SCHEMBL536309 | 0.74 | TDP1 (0.47) | IDO1KMONOS3NOS1NOS2 | |
| SCHEMBL9715959 | 0.74 | POLB (0.33) | POLBMEN1KMT2A | |
| SCHEMBL9715951 | 0.74 | GPR35 (0.33) | GPR35 | |
| SCHEMBL9715993 | 0.72 | KMO (0.43) | IDO1KMONOS3NOS1NOS2 | |
| SCHEMBL9716001 | 0.69 | IDO1 (0.35) | IDO1USP2POLBHPGD | |
| SCHEMBL9716054 | 0.68 | MIF (0.46) | IDO1KMOPOLBMEN1KMT2A |
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-5102898-A | Halosubstituted alkyne group; fungicides | ROHM AND HAAS COMPANY (US) | 1992-04-07 | — | — | US | disclosed |