Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 5/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.34 |
| ▸ | ITGAV | P06756 | 2/20 | 0.34 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.33 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.33 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.32 |
| ▸ | MGAM | O43451 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL853670 | 0.87 | NR1H2 (0.36) | NR1H2NR1H3MTNR1AMTNR1BITGB3 | |
| SCHEMBL852538 | 0.84 | ITGB3 (0.47) | MTNR1AMTNR1BITGB3ITGAVITGB5 | |
| SCHEMBL853983 | 0.82 | ITGB3 (0.35) | NR1H2NR1H3MTNR1AMTNR1BITGB3 | |
| SCHEMBL852464 | 0.79 | NR4A2 (0.36) | MTNR1AMTNR1BUSP2CYP1A2CYP3A4 | |
| SCHEMBL860965 | 0.79 | ITGB3 (0.52) | ITGB3ITGAVITGB5 | |
| SCHEMBL852473 | 0.79 | ITGB3 (0.52) | MTNR1AMTNR1BITGB3ITGAVITGB5 | |
| SCHEMBL861190 | 0.73 | MAOA (0.42) | NR1H2NR1H3MTNR1AMTNR1BITGB3 | |
| SCHEMBL853915 | 0.71 | HTT (0.35) | MTNR1AMTNR1BCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL853781 | 0.70 | ITGB3 (0.51) | MTNR1AMTNR1BITGB3ITGAVITGB5 | |
| SCHEMBL853153 | 0.70 | ITGB3 (0.59) | MTNR1AMTNR1BITGB3ITGAVITGB5 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | WO | disclosed |