Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.55 |
| ▸ | AGXT | P21549 | 2/20 | 0.55 |
| ▸ | TACR1 | P25103 | 2/20 | 0.47 |
| ▸ | MAOB | P27338 | 4/20 | 0.46 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | MAOA | P21397 | 2/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10866481 | 0.82 | CYP3A4 (0.69) | CYP3A4IDO1AGXTTACR1MAOB | |
| SCHEMBL95565 | 0.78 | CYP3A4 (0.58) | CYP3A4IDO1AGXTMAOBPNMT | |
| SCHEMBL7213624 | 0.77 | IDO1 (0.48) | IDO1AGXTMAOBMAOANR4A2 | |
| SCHEMBL394787 | 0.77 | TSHR (0.61) | IDO1AGXTMMP2MMP12 | |
| SCHEMBL30385 | 0.76 | CYP3A4 (0.60) | CYP3A4IDO1AGXTTACR1MAOB | |
| SCHEMBL423396 | 0.76 | CYP3A4 (0.60) | CYP3A4IDO1AGXTTACR1MAOB | |
| SCHEMBL30487714 | 0.76 | CYP3A4 (0.60) | CYP3A4IDO1AGXTTACR1MAOB | |
| SCHEMBL1759063 | 0.75 | TAAR1 (0.55) | CYP3A4IDO1AGXTPNMTTAAR1 | |
| SCHEMBL28404628 | 0.74 | CYP3A4 (0.69) | CYP3A4IDO1AGXTMAOBPNMT | |
| SCHEMBL5778930 | 0.74 | CYP3A4 (0.58) | CYP3A4IDO1AGXTTACR1MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1119357-A1 | C3A RECEPTOR LIGANDS | SmithKline Beecham Corporation (US) | 2001-08-01 | — | — | EP | claimed |
| WO-2000009129-A1 | C3A RECEPTOR LIGANDS | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-24 | — | — | WO | claimed |