Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 7/20 | 0.46 |
| ▸ | RPA1 | P27694 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MDM2 | Q00987 | 3/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | BCL2 | P10415 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MARS1 | P56192 | 1/20 | 0.40 |
| ▸ | PPP1CA | P62136 | 2/20 | 0.39 |
| ▸ | ACVR1B | P36896 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20955450 | 1.00 | TGFBR1 (0.46) | TGFBR1RPA1KDM4EALDH1A1MDM2 | |
| SCHEMBL20955667 | 0.91 | TGFBR1 (0.47) | TGFBR1MARS1ACVR1B | |
| SCHEMBL20979040 | 0.88 | PFKFB3 (0.45) | TGFBR1KDM4EALDH1A1NPC1RAB9A | |
| SCHEMBL20955280 | 0.88 | TGFBR1 (0.44) | TGFBR1ALDH1A1MDM2MCL1BCL2 | |
| SCHEMBL25336136 | 0.86 | TGFBR1 (0.45) | TGFBR1ACVR1B | |
| SCHEMBL20978891 | 0.86 | TGFBR1 (0.57) | TGFBR1ACVR1B | |
| SCHEMBL21129341 | 0.86 | CACNA1G (0.49) | TGFBR1RPA1KDM4EALDH1A1 | |
| SCHEMBL29425326 | 0.85 | TGFBR1 (0.44) | TGFBR1KDM4ENPC1RAB9AHKDC1 | |
| SCHEMBL25335613 | 0.85 | TGFBR1 (0.44) | TGFBR1KDM4ENPC1RAB9AHKDC1 | |
| SCHEMBL20979169 | 0.85 | PFKFB3 (0.46) | TGFBR1KDM4EALDH1A1NPC1RAB9A |
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-116249692-B | Pyrazole compound as well as preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2024-08-23 | — | — | CN | disclosed |
| CN-116249692-A | Pyrazole compound as well as preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-06-09 | — | — | CN | disclosed |