Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.42 |
| ▸ | HTR2A | P28223 | 5/20 | 0.42 |
| ▸ | HTR2C | P28335 | 5/20 | 0.42 |
| ▸ | HTR2B | P41595 | 5/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | TLR4 | O00206 | 1/20 | 0.38 |
| ▸ | TLR2 | O60603 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8200228 | 0.98 | SIGMAR1 (0.41) | SIGMAR1HTR2AHTR2CHTR2BPOLB | |
| SCHEMBL3067136 | 0.92 | SIGMAR1 (0.44) | SIGMAR1HTR2AHTR2CHTR2BOPRM1 | |
| SCHEMBL6673084 | 0.74 | OPRM1 (0.39) | SIGMAR1HTR2AHTR2CHTR2BPOLB | |
| SCHEMBL8068468 | 0.73 | TDP1 (0.53) | — | |
| SCHEMBL1004985 | 0.69 | POLB (0.41) | POLBGAAKDM4E | |
| SCHEMBL10533845 | 0.69 | PARP15 (0.56) | — | |
| SCHEMBL497968 | 0.69 | KDM4E (0.42) | POLBGAAOPRM1KDM4EEPHX2 | |
| SCHEMBL9798232 | 0.69 | ALDH1A1 (0.39) | KDM4E | |
| SCHEMBL1432366 | 0.68 | KDM4E (0.45) | SIGMAR1POLBGAAOPRM1KDM4E | |
| SCHEMBL8356592 | 0.68 | PARP15 (0.57) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6972296-B2 | Carboxylic acid derivatives that inhibit the binding of integrins to their receptors | ENCYSIVE PHARMACEUTICALS INC. (US) | 2005-12-06 | — | — | US | disclosed |