Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.48 |
| ▸ | GABRP | O00591 | 2/20 | 0.43 |
| ▸ | GABRD | O14764 | 2/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.43 |
| ▸ | GABRE | P78334 | 2/20 | 0.43 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.43 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.43 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.43 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.43 |
| ▸ | ACE | P12821 | 2/20 | 0.42 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1856575 | 0.98 | CYP1A2 (0.50) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| Hydrochloric Acid SCHEMBL25369419 | 0.96 | CYP1A2 (0.48) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL27364957 | 0.81 | CYP1A2 (0.45) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL5500053 | 0.79 | KDM4E (0.46) | CYP1A2ACERENSMN1; SMN2MAPK1 | |
| SCHEMBL499913 | 0.79 | KDM4E (0.46) | CYP1A2ACERENSMN1; SMN2MAPK1 | |
| SCHEMBL27761552 | 0.79 | ACE (0.47) | CYP1A2GABRPGABRDGABRA1GABRB1 | |
| SCHEMBL21540021 | 0.78 | CYP3A4 (0.38) | SMN1; SMN2DPP7ALDH1A1MAPTPOLB | |
| SCHEMBL23869469 | 0.78 | CYP3A4 (0.38) | SMN1; SMN2DPP7ALDH1A1MAPTPOLB | |
| SCHEMBL23475138 | 0.77 | MAPT (0.37) | ACERENSMN1; SMN2DPP7ALDH1A1 | |
| SCHEMBL9697384 | 0.77 | L3MBTL1 (0.46) | CYP1A2SMN1; SMN2MAPK1DPP7ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1718635-A1 | PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-11-08 | — | — | EP | disclosed |
| WO-2005082889-A1 | PIPERIDINYL TARGETING COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-09-09 | — | — | WO | disclosed |
| EP-1539739-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | disclosed |
| US-5492919-A | IRRITABLE BOWEL DISORDER | SMITHKLINE BEECHAM P.L.C. (GB) | 1996-02-20 | — | — | US | disclosed |
| EP-0596933-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-05-18 | — | — | EP | disclosed |
| WO-1993002677-A1 | 5-HT4 RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-02-18 | — | — | WO | disclosed |