Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KLK7 | P49862 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27488012 | 0.85 | HTT (0.43) | HTTALDH1A1MAPTHPGDTRPA1 | |
| SCHEMBL25832024 | 0.85 | ACACB (0.44) | ALDH1A1HPGDKMT2AMEN1TDP1 | |
| SCHEMBL19479754 | 0.85 | ESR1 (0.53) | MAPTTSHRKMT2AGAA | |
| SCHEMBL7710947 | 0.85 | ESR1 (0.53) | MAPTTSHRKMT2AGAA | |
| SCHEMBL13610016 | 0.84 | KMT2A (0.47) | HTTALDH1A1MAPTHPGDTSHR | |
| SCHEMBL13643084 | 0.83 | F2 (0.43) | ALDH1A1MAPTGAA | |
| SCHEMBL22769201 | 0.83 | RAB9A (0.54) | ALDH1A1MAPTHPGDTSHRKMT2A | |
| SCHEMBL10509525 | 0.83 | NPC1 (0.51) | ALDH1A1TSHRKMT2AMEN1 | |
| SCHEMBL27506588 | 0.81 | CA12 (0.47) | HTTALDH1A1MAPTHPGDTRPA1 | |
| SCHEMBL5794436 | 0.81 | TRPA1 (0.50) | HTTHPGDTRPA1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-108093636-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-05-29 | — | — | CN | disclosed |
| CN-107743481-A | Indoleamine 2, 3-dioxygenase inhibitors for the treatment of cancer | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |
| CN-107743490-A | For the indoleamine 2 for the treatment of cancer, 3 dioxygenase inhibitors | 百时美施贵宝公司 | 2018-02-27 | — | — | CN | disclosed |