Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CASP3 | P42574 | 1/20 | 0.38 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.38 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.38 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL896714 | 0.85 | ALDH1A1 (0.47) | KMT2AALDH1A1L3MBTL1ATMGAA | |
| SCHEMBL2692083 | 0.84 | TSHR (0.47) | KMT2AALDH1A1L3MBTL1ATMGAA | |
| SCHEMBL17487291 | 0.81 | ALDH1A1 (0.53) | KMT2AALDH1A1L3MBTL1ATMGAA | |
| SCHEMBL28807702 | 0.78 | S1PR3 (0.42) | KMT2AALDH1A1GAAMEN1SMN1; SMN2 | |
| SCHEMBL27651327 | 0.76 | KDM4E (0.49) | KMT2AL3MBTL1GAAMEN1SMN1; SMN2 | |
| SCHEMBL21745741 | 0.74 | SMN1; SMN2 (0.62) | KMT2AALDH1A1L3MBTL1GAAMEN1 | |
| SCHEMBL28193413 | 0.73 | NPC1 (0.40) | KMT2AALDH1A1L3MBTL1ATMGAA | |
| SCHEMBL896383 | 0.73 | ALDH1A1 (0.50) | KMT2AALDH1A1L3MBTL1ATMGAA | |
| SCHEMBL5457864 | 0.72 | CYP1A2 (0.47) | KMT2AALDH1A1L3MBTL1GAAMEN1 | |
| SCHEMBL4924785 | 0.72 | ALDH1A1 (0.49) | KMT2AALDH1A1GAAMEN1SMN1; SMN2 |
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-102718700-B | 3,5,6-tri-Chloro-2-Pyridyle fluoroacetic acid derivative preparations and applicatio is studied | NANKAI UNIVERSITY (CN) | 2016-03-23 | — | — | CN | disclosed |