Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.31 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.30 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.30 |
| ▸ | SRC | P12931 | 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 | |
|---|---|---|---|---|
| SCHEMBL19637079 | 0.86 | HTT (0.32) | KDM4EALDH1A1SMN1; SMN2CYP1A2CYP2D6 | |
| SCHEMBL19637432 | 0.85 | KDM4E (0.36) | KDM4EALDH1A1HRH3TLR8 | |
| SCHEMBL19637169 | 0.84 | TDP1 (0.33) | — | |
| SCHEMBL19637394 | 0.80 | ABCB11 (0.32) | CYP1A2CYP2D6TLR7TLR8 | |
| SCHEMBL19637369 | 0.79 | HTT (0.35) | CYP1A2MEN1KMT2A | |
| SCHEMBL22994768 | 0.79 | KDM4E (0.32) | KDM4EMEN1KMT2A | |
| SCHEMBL19636917 | 0.76 | HRH3 (0.42) | ALDH1A1HRH3 | |
| SCHEMBL19637255 | 0.71 | HTT (0.34) | — | |
| SCHEMBL21912065 | 0.70 | KDM4E (0.34) | KDM4EALDH1A1MEN1KMT2A | |
| SCHEMBL19637404 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3458445-B1 | KRAS G12C INHIBITORS | MIRATI THERAPEUTICS INC (US) | 2021-02-17 | — | — | EP | disclosed |