Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.57 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL129712 | 0.97 | — | — | |
| SCHEMBL29364070 | 0.97 | — | — | |
| SCHEMBL31057538 | 0.94 | ACHE (0.57) | ACHETRPA1ATMCYP2A6CYP1A2 | |
| Acetic Acid SCHEMBL27685692 | 0.84 | ACHE (0.46) | ACHETRPA1ATMCYP1A2LMNA | |
| SCHEMBL254224 | 0.82 | — | — | |
| Phenol SCHEMBL28222945 | 0.82 | ACHE (0.50) | ACHETRPA1ATMCYP1A2TSHR | |
| Bromide SCHEMBL28030865 | 0.79 | ACHE (0.50) | ACHETSHRGAAALDH1A1SMN1; SMN2 | |
| SCHEMBL9861277 | 0.79 | ACHE (0.52) | ACHETRPA1ATMCYP2A6CYP1A2 | |
| SCHEMBL28322596 | 0.78 | TRPA1 (0.58) | ACHETRPA1ATMCYP2A6CYP1A2 | |
| Nitrogen SCHEMBL10700884 | 0.77 | ACHE (0.48) | ACHETSHRGAAALDH1A1SMN1; SMN2 |
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-105143206-B | Pyrimidine -2,4- diamine derivative for treating cancer | 托马斯·黑勒戴药物研究基金会 | 2019-01-15 | — | — | CN | disclosed |