Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20365073 | 0.87 | SRC (0.42) | SRC | |
| SCHEMBL18388279 | 0.87 | MEN1 (0.44) | SRCCYP3A4TSHR | |
| SCHEMBL20135781 | 0.86 | SRC (0.62) | SRCCYP3A4 | |
| SCHEMBL10504348 | 0.79 | AKR1B1 (0.41) | SRCCYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL6551606 | 0.75 | CYP3A4 (0.38) | SRCCYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL1313257 | 0.71 | CYP3A4 (0.35) | CYP3A4TSHRALDH1A1MAPK1TDP1 | |
| SCHEMBL24982920 | 0.70 | ALDH1A1 (0.40) | SRCALDH1A1MAPK1TDP1 | |
| SCHEMBL21001297 | 0.70 | ALDH1A1 (0.41) | SRCCYP3A4TSHRALDH1A1TDP1 | |
| SCHEMBL22906090 | 0.70 | ALDH1A1 (0.40) | SRCALDH1A1MAPK1TDP1 | |
| SCHEMBL20906675 | 0.70 | GAA (0.37) | SRCCYP3A4TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3319972-A1 | 1,3-DIPOLAR COMPOUND BEARING A PHOSPHORUS-CONTAINING GROUP AND A DIPOLE CONTAINING A NITROGEN ATOM | Compagnie Générale des Etablissements Michelin (FR) | 2018-05-16 | — | — | EP | disclosed |