Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 3/20 | 0.44 |
| ▸ | CA9 | Q16790 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24099711 | 0.80 | CYP2C19 (0.44) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL26412819 | 0.79 | CYP2C9 (0.56) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL2249794 | 0.78 | CYP2C9 (0.48) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL15351111 | 0.78 | CYP2C19 (0.54) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL990880 | 0.78 | CYP2C19 (0.54) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL990198 | 0.77 | GRM5 (0.49) | SMN1; SMN2RAB9ANPC1KDM4EKMT2A | |
| SCHEMBL990850 | 0.76 | CYP2C9 (0.53) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL19266051 | 0.76 | CYP2C9 (0.49) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL15350275 | 0.75 | CYP2C9 (0.51) | CYP2C9CYP2C19CA1CA2CA12 | |
| SCHEMBL15527552 | 0.75 | CYP2C19 (0.48) | CYP2C9CYP2C19CA1CA2CA12 |
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-105384738-B | Heterocycle compound as kinases inhibitor and its production and use | 上海科州药物研发有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-105384738-A | Heterocyclic compound as protein kinase inhibitor and preparation method and application thereof | KECHOW PHARMA INC | 2016-03-09 | — | — | CN | disclosed |