Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 4/20 | 0.77 |
| ▸ | TYMS | P04818 | 3/20 | 0.77 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.77 |
| ▸ | MEN1 | O00255 | 1/20 | 0.77 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.77 |
| ▸ | POLB | P06746 | 1/20 | 0.77 |
| ▸ | GAA | P10253 | 1/20 | 0.77 |
| ▸ | HPGD | P15428 | 1/20 | 0.77 |
| ▸ | TSHR | P16473 | 1/20 | 0.77 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.77 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.77 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.77 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.77 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.56 |
| ▸ | DHFR | P00374 | 5/20 | 0.55 |
| ▸ | GART | P22102 | 2/20 | 0.51 |
| ▸ | ATIC | P31939 | 1/20 | 0.51 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL30749414 | 1.00 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL15864552 | 1.00 | AKR1B1 (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL31121836 | 0.93 | TYMS (0.75) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL27532324 | 0.93 | AKR1B1 (0.75) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL10531183 | 0.92 | TYMS (0.77) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL29783453 | 0.91 | TYMS (0.76) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL29289320 | 0.91 | TYMS (0.76) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL28444343 | 0.91 | TYMS (0.76) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL10173120 | 0.91 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 | |
| SCHEMBL470145 | 0.91 | AKR1B1 (0.81) | AKR1B1TYMSKDM4EMEN1ALDH1A1 |
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-117683049-A | Indole derivatives as RAS inhibitors for the treatment of cancer | 锐新医药公司 | 2024-03-12 | — | — | CN | disclosed |