Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | PDE5A | O76074 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | GALK1 | P51570 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8925030 | 1.00 | CYP1A2 (0.37) | CYP1A2CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL8921606 | 0.79 | SMN1; SMN2 (0.38) | CYP1A2CYP3A4CYP2C19MEN1KMT2A | |
| SCHEMBL8921279 | 0.76 | MEN1 (0.40) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL8921612 | 0.76 | SMN1; SMN2 (0.37) | CYP1A2CYP3A4CYP2C19KMT2AALDH1A1 | |
| SCHEMBL8923316 | 0.76 | MEN1 (0.42) | MEN1KMT2AALDH1A1HPGDMAPT | |
| SCHEMBL8922750 | 0.74 | KMT2A (0.40) | MEN1KMT2AALDH1A1MAPTGAA | |
| SCHEMBL7416031 | 0.73 | GALK1 (0.40) | CYP1A2CYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL4733777 | 0.66 | KMT2A (0.55) | MEN1KMT2AALDH1A1HPGDKDM4E | |
| SCHEMBL28658975 | 0.65 | CNR1 (0.47) | CYP3A4KDM4EMAPTFAAH | |
| SCHEMBL28658973 | 0.65 | CNR1 (0.47) | CYP3A4KDM4EMAPTFAAH |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0685466-A1 | 3-Heteroaliphatyle-and 3-hetero-(aryle)-aliphatyle-2(1H)-quinolone derivatives | CIBA-GEIGY AG (CH) | 1995-12-06 | — | — | EP | disclosed |