Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | LDHB | P07195 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | PGK2 | P07205 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | FABP4 | P15090 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL238022 | 0.76 | LDHA (0.48) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL1259455 | 0.76 | LDHA (0.34) | LDHALDHBCYP3A4ACHEPGK1 | |
| SCHEMBL3735175 | 0.76 | CYP3A4 (0.47) | LDHALDHBCYP3A4MAPK1SMN1; SMN2 | |
| SCHEMBL6909091 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL1004338 | 0.74 | POLB (0.47) | ALDH1A1SMN1; SMN2CYP1A2 | |
| SCHEMBL6912920 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL6915568 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL6915102 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL6909095 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 | |
| SCHEMBL6913206 | 0.74 | LDHA (0.47) | LDHALDHBCYP3A4ACHEMAPK1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0708077-B1 | Diamino compounds and methods for preparing them | CHISSO CORP (JP) | 2000-12-27 | — | — | EP | disclosed |
| US-5663440-A | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0708077-A1 | Diamino compounds and methods for preparing them | CHISSO CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |