Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 4/20 | 0.38 |
| ▸ | THRB | P10828 | 4/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL853777 | 0.87 | GAA (0.43) | KDM4EALDH1A1CYP2C19PKMHPGD | |
| SCHEMBL8387335 | 0.83 | PKM (0.55) | KDM4EALDH1A1CYP2C19PKMGABRA1 | |
| SCHEMBL852764 | 0.83 | HDAC3 (0.48) | KDM4EMAPT | |
| SCHEMBL853701 | 0.79 | TRPM8 (0.55) | KDM4EALDH1A1HTTHPGDGABRA1 | |
| SCHEMBL9672135 | 0.76 | MTNR1A (0.53) | KDM4EALDH1A1HTTCYP2C19HPGD | |
| SCHEMBL5851341 | 0.75 | GPR84 (0.62) | ALDH1A1CYP2C19HPGDSMN1; SMN2CYP2D6 | |
| SCHEMBL6600034 | 0.74 | PKM (0.67) | KDM4EALDH1A1CYP2C19PKMHPGD | |
| SCHEMBL852704 | 0.72 | ITGB3 (0.45) | — | |
| SCHEMBL6521138 | 0.71 | GABRA1 (0.60) | KDM4EALDH1A1CYP2C19HPGDGABRA1 | |
| SCHEMBL5791665 | 0.71 | ALDH1A1 (0.47) | ALDH1A1PKMTHRATHRB |
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 |