Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.38 |
| ▸ | NPC1 | O15118 | 5/20 | 0.38 |
| ▸ | RAB9A | P51151 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CCR1 | P32246 | 2/20 | 0.37 |
| ▸ | CCR5 | P51681 | 2/20 | 0.37 |
| ▸ | CCR8 | P51685 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | METAP1 | P53582 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.37 |
| ▸ | P4HTM | Q9NXG6 | 1/20 | 0.37 |
| ▸ | PRKCI | P41743 | 1/20 | 0.37 |
| ▸ | METAP2 | P50579 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29882339 | 0.78 | SQOR (0.32) | ALOX15MAPK1ALDH1A1 | |
| SCHEMBL25276134 | 0.76 | KDM4E (0.44) | KDM4ENPC1RAB9AMAPTATM | |
| SCHEMBL1817017 | 0.72 | KDM4E (0.43) | KDM4ENPC1RAB9ALMNACCR1 | |
| SCHEMBL10884670 | 0.71 | PRKCI (0.35) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL1924499 | 0.71 | KDM4E (0.48) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL3463943 | 0.71 | KDM4E (0.48) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL31374417 | 0.71 | KDM4E (0.42) | KDM4ENPC1RAB9ALMNACCR1 | |
| SCHEMBL10921322 | 0.69 | KDM4E (0.46) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL1384700 | 0.69 | KDM4E (0.46) | KDM4ENPC1RAB9AMAPTLMNA | |
| SCHEMBL31339152 | 0.69 | KDM4E (0.46) | KDM4ENPC1RAB9AMAPTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022017208-A1 | SALT FORM AND CRYSTAL FORM OF PYRIDYLOXY PYRAZOLE COMPOUND AS TGF-βR1 INHIBITOR, AND PHARMACEUTICAL COMPOSITION THEREOF | 江苏奥赛康药业有限公司 | 2022-01-27 | — | — | WO | disclosed |