Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.47 |
| ▸ | SLC6A1 | P30531 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | DUT | P33316 | 1/20 | 0.40 |
| ▸ | TK2 | O00142 | 6/20 | 0.37 |
| ▸ | TK1 | P04183 | 2/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.33 |
| ▸ | MLNR | O43193 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL99301 | 0.79 | KIF11 (0.49) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL99300 | 0.79 | KIF11 (0.49) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL20512399 | 0.78 | KIF11 (0.45) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL1197663 | 0.77 | TSHR (0.44) | CYP2C9TSHRCYP2C19CYP3A4DRD2 | |
| SCHEMBL5519659 | 0.77 | TEAD1 (0.52) | — | |
| SCHEMBL99951 | 0.74 | KIF11 (0.41) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL99952 | 0.74 | KIF11 (0.41) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL11275984 | 0.72 | KIF11 (0.74) | KIF11SLC6A1CYP2C9TSHRCYP2C19 | |
| SCHEMBL25738193 | 0.72 | ALDH1A1 (0.30) | KMT2A | |
| SCHEMBL9481131 | 0.71 | KIF11 (0.52) | KIF11SLC6A1CYP2C9TSHRCYP2C19 |
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-3184526-B1 | PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES AS JANUS KINASE INHIBITOR | INCYTE HOLDINGS CORP (US) | 2018-10-03 | — | — | EP | disclosed |