Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | ATF1 | P18846 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL2713874 | 0.78 | ALDH1A1 (0.40) | CRHR1DHFRTP53SMN1; SMN2ALDH1A1 | |
| SCHEMBL22261265 | 0.74 | JAK3 (0.58) | — | |
| SCHEMBL7259310 | 0.70 | ALDH1A1 (0.44) | DHFRTP53SMN1; SMN2KDM4EHPGD | |
| SCHEMBL1203818 | 0.69 | SMN1; SMN2 (0.45) | DHFRTP53SMN1; SMN2KDM4ENPC1 | |
| SCHEMBL24588213 | 0.68 | NFKB1 (0.51) | ATF1NFKB1PARP1 | |
| SCHEMBL3122164 | 0.68 | EGFR (0.51) | KDM4EALDH1A1TDP1MAPTCRHBP | |
| SCHEMBL30960992 | 0.68 | EGFR (0.51) | KDM4EALDH1A1TDP1MAPTCRHBP | |
| SCHEMBL17673007 | 0.67 | PIN1 (0.56) | KDM4EPARP1 | |
| SCHEMBL7501244 | 0.66 | DHFR (0.46) | DHFRTP53KDM4EALDH1A1TSHR | |
| SCHEMBL30962756 | 0.66 | NNMT (0.40) | NFKB1KDM4ENPC1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3686197-A1 | 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF | Beijing Scitech-MQ Pharmaceuticals Limited (CN) | 2020-07-29 | — | — | EP | disclosed |
| WO-2010129802-A1 | INHIBITORS OF JAK | PORTOLA PHARMACEUTICALS, INC. (US) | 2010-11-11 | — | — | WO | disclosed |