Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 8/20 | 0.45 |
| ▸ | KIT | P10721 | 3/20 | 0.41 |
| ▸ | GRM5 | P41594 | 2/20 | 0.38 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.38 |
| ▸ | CDK9 | P50750 | 5/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 4/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30863750 | 0.89 | GRM1 (0.52) | TRPV1KITGRM5GRM1CDK9 | |
| SCHEMBL28368042 | 0.79 | KDM4E (0.40) | TRPV1CDK9CCNT1NPC1ALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL28452901 | 0.77 | HTR6 (0.38) | KITCDK9CCNT1HDAC3HDAC1 | |
| Trifluoroacetic Acid SCHEMBL30863752 | 0.77 | HTR6 (0.38) | KITCDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL28439457 | 0.77 | HTR6 (0.39) | KITCDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL20759670 | 0.77 | HTR6 (0.39) | KITCDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL28966541 | 0.76 | TRPV1 (0.45) | TRPV1ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL28448600 | 0.76 | HTR2C (0.38) | KITCDK9CCNT1HDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL28448601 | 0.76 | HTR2C (0.38) | KITCDK9CCNT1HDAC3HDAC1 | |
| SCHEMBL28368651 | 0.74 | NPC1 (0.44) | GRM5GRM1NPC1ALDH1A1MAPT |
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-111410648-B | Chiral c-KIT inhibitor drug key intermediate and preparation method thereof | 浙江海正药业股份有限公司 | 2024-03-29 | — | — | CN | disclosed |
| CN-111410648-A | Chiral c-KIT inhibitor drug key intermediate and preparation method thereof | 浙江海正药业股份有限公司 | 2020-07-14 | — | — | CN | disclosed |