Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | YAP1 | P46937 | 2/20 | 0.34 |
| ▸ | TRHR | P34981 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | P4HB | P07237 | 1/20 | 0.32 |
| ▸ | NOS2 | P35228 | 2/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | SIRT2 | Q8IXJ6 | 2/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 1/20 | 0.31 |
| ▸ | TRHDE | Q9UKU6 | 1/20 | 0.31 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.31 |
| ▸ | TACR1 | P25103 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098746 | 1.00 | YAP1 (0.34) | YAP1TRHRKDM1AP4HBNOS2 | |
| SCHEMBL7104344 | 0.94 | TRHR (0.37) | YAP1TRHRKDM1AP4HBGLP1R | |
| SCHEMBL7104341 | 0.94 | TRHR (0.37) | YAP1TRHRKDM1AP4HBGLP1R | |
| SCHEMBL7104066 | 0.90 | NPSR1 (0.38) | YAP1TRHRNOS2KDM4EALDH1A1 | |
| SCHEMBL7104061 | 0.90 | NPSR1 (0.38) | YAP1TRHRNOS2KDM4EALDH1A1 | |
| SCHEMBL7099517 | 0.84 | TRHDE (0.40) | TRHRTRHDE | |
| SCHEMBL7099521 | 0.84 | TRHDE (0.40) | TRHRTRHDE | |
| SCHEMBL7103875 | 0.76 | TRHR (0.41) | TRHRALDH1A1TRHDE | |
| SCHEMBL7103872 | 0.76 | TRHR (0.41) | TRHRALDH1A1TRHDE | |
| SCHEMBL7099084 | 0.76 | NPSR1 (0.43) | TRHRTRHDE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0991619-B1 | INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2003-09-10 | — | — | EP | disclosed |
| US-6596752-B1 | Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. | TANABE SEIYAKU CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |
| US-6482849-B1 | Inhibitors of α4β1 mediated cell adhesion | TANABE SEIYAKU CO., LTD. (JP) | 2002-11-19 | — | — | US | disclosed |