Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.43 |
| ▸ | MAOA | P21397 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL3685395 | 0.87 | CYP3A4 (0.50) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL13034150 | 0.84 | MAOB (0.58) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL27842834 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4ECA2CYP4F2CYP4A11 | |
| SCHEMBL19270356 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL10908075 | 0.81 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2MAOBMAOA | |
| SCHEMBL4655268 | 0.81 | CYP3A4 (0.55) | CYP3A4ALDH1A1KDM4ECA2IDH1 | |
| SCHEMBL13034094 | 0.79 | CYP4F2 (0.54) | CYP3A4ALDH1A1CYP4F2CYP4A11 | |
| SCHEMBL3398999 | 0.78 | HPGD (0.57) | ALDH1A1PKM | |
| SCHEMBL5936414 | 0.78 | CYP3A4 (0.55) | CYP3A4ALDH1A1KDM4ECA2MAOB | |
| SCHEMBL28088456 | 0.78 | CYP3A4 (0.51) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 |
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-101952244-A | PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist | AMIRA PHARMACEUTICALS INC | 2011-01-19 | — | — | CN | disclosed |