Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | XBP1 | P17861 | 1/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.44 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.44 |
| ▸ | HTR1A | P08908 | 1/20 | 0.44 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL926062 | 1.00 | IDO1 (0.53) | IDO1ALDH1A1TSHRHTTXBP1 | |
| Hydrochloric Acid SCHEMBL28558644 | 0.98 | IDO1 (0.55) | IDO1ALDH1A1TSHRHTTXBP1 | |
| Methane SCHEMBL28634069 | 0.98 | IDO1 (0.52) | IDO1ALDH1A1TSHRHTTXBP1 | |
| SCHEMBL4970281 | 0.94 | TSHR (0.48) | IDO1ALDH1A1TSHRHTTXBP1 | |
| SCHEMBL30094172 | 0.86 | IDO1 (0.50) | IDO1HTR6 | |
| SCHEMBL1117278 | 0.86 | IDO1 (0.50) | IDO1HTR6 | |
| SCHEMBL29156852 | 0.85 | IDO1 (0.41) | IDO1ALDH1A1TSHRHTTXBP1 | |
| SCHEMBL440138 | 0.79 | HTR2A (0.54) | IDO1 | |
| SCHEMBL29793145 | 0.79 | HTR2A (0.54) | IDO1 | |
| SCHEMBL145977 | 0.77 | IDO1 (0.57) | IDO1TSHRHTTADRA2AADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116194456-A | Preparation of heterocyclic compounds as KRAS inhibitors and methods of use thereof | 上海科州药物研发有限公司 | 2023-05-30 | — | — | CN | disclosed |