Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.63 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | RAB9A | P51151 | 1/20 | 0.63 |
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.48 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.45 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.44 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4822355 | 1.00 | HTT (0.63) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL4568348 | 0.87 | MLYCD (0.48) | HTTLMNAMAPK1RAB9AMLYCD | |
| SCHEMBL8325433 | 0.87 | HTT (0.67) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL15567779 | 0.85 | MLYCD (0.50) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL1091526 | 0.85 | KCNQ3 (0.47) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL2883042 | 0.85 | CES2 (0.52) | HTTLMNAMAPK1RAB9AMLYCD | |
| SCHEMBL2714260 | 0.84 | HTT (0.46) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL5776326 | 0.82 | HDAC1 (0.51) | HTTLMNAMAPK1RAB9AMLYCD | |
| SCHEMBL20982579 | 0.82 | MLYCD (0.49) | HTTLMNAMAPK1RAB9AACHE | |
| SCHEMBL2282312 | 0.82 | TAS1R3 (0.47) | HTTLMNATAS1R3TAS1R1MLYCD |
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 |
|---|---|---|---|---|---|---|---|
| CN-110167935-B | 3-substituted propionic acids as alpha V integrin inhibitors | 百时美施贵宝公司 | 2022-05-27 | — | — | CN | disclosed |