Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.41 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.39 |
| ▸ | NOS1 | P29475 | 2/20 | 0.39 |
| ▸ | NOS2 | P35228 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.36 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29424844 | 0.81 | NNMT (0.41) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL126903 | 0.81 | NNMT (0.41) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| Hydrochloric Acid SCHEMBL30078498 | 0.79 | NNMT (0.40) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| Hydrochloric Acid SCHEMBL3338097 | 0.79 | NNMT (0.40) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL30884721 | 0.79 | TLR8 (0.46) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| Hydrochloric Acid SCHEMBL3736737 | 0.79 | NNMT (0.40) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL172558 | 0.78 | NNMT (0.52) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL509468 | 0.77 | NNMT (0.39) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL2317842 | 0.77 | SIRT2 (0.43) | NNMTCYP1A2KMT2ASIRT2SIRT1 | |
| SCHEMBL30427669 | 0.77 | NNMT (0.43) | NNMTCYP1A2KMT2ASIRT2SIRT1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106660993-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2017-05-10 | — | — | CN | claimed |
| CN-106660993-A | Kinase inhibitor | 上海复尚慧创医药研究有限公司 | 2017-05-10 | — | — | CN | disclosed |