Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.78 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.78 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | METAP2 | P50579 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL14075315 | 0.93 | CYP2C9 (0.65) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL3514217 | 0.92 | CYP2C9 (0.66) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL14075395 | 0.90 | MEN1 (0.65) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL3512984 | 0.90 | CYP2C9 (0.90) | CYP2C9CYP1A2CYP2C19METAP2LMNA | |
| SCHEMBL4662890 | 0.87 | CYP2C9 (0.71) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL13034761 | 0.86 | CYP2C9 (0.84) | CYP2C9CYP1A2CYP2C19METAP2GFER | |
| SCHEMBL5955445 | 0.86 | CYP2C9 (0.84) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL14075403 | 0.86 | CYP2C9 (0.58) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL14075376 | 0.85 | CYP2C9 (0.57) | CYP2C9CYP1A2CYP2C19KMT2AMEN1 | |
| SCHEMBL3513665 | 0.85 | CYP2C9 (0.82) | CYP2C9CYP1A2CYP2C19METAP2GFER |
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-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |
| US-7429677-B2 | Small molecule entry inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2008-09-30 | — | — | US | disclosed |