Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.76 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.76 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.76 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | TPSAB1 | Q15661 | 3/20 | 0.63 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.62 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.59 |
| ▸ | CFD | P00746 | 1/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | BACE1 | P56817 | 1/20 | 0.55 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | PPIA | P62937 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL14923286 | 0.90 | EPHX1 (0.81) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL4743832 | 0.88 | CA2 (0.67) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL714625 | 0.88 | EPHX1 (0.77) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14309142 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL910097 | 0.86 | CYP1A2 (1.00) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL9723390 | 0.86 | CYP1A2 (0.67) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL4614992 | 0.85 | KLKB1 (0.57) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL14309140 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| SCHEMBL12643755 | 0.85 | SMN1; SMN2 (0.68) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Hydrochloric Acid SCHEMBL4015668 | 0.84 | CYP1A2 (0.55) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 |
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-7105508-B1 | Integrin receptors antagonists | ABBOTT GMBH & CO. KG (DE) | 2006-09-12 | — | — | US | disclosed |
| CN-1374960-A | novel integrin receptor antagonists | BASF AG (DE) | 2002-10-16 | — | — | CN | disclosed |