Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | NFE2L2 | Q16236 | 4/20 | 0.46 |
| ▸ | MAOB | P27338 | 3/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | TNKS | O95271 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17047459 | 1.00 | CYP3A4 (0.47) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL28550981 | 0.84 | TRPA1 (0.42) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL11022950 | 0.81 | NFE2L2 (0.46) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL11022955 | 0.81 | NFE2L2 (0.46) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL7209613 | 0.80 | CYP3A4 (0.42) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL28497133 | 0.75 | MAOB (0.48) | CYP3A4NFE2L2MAOBMAOAALDH1A1 | |
| Benzene SCHEMBL28766229 | 0.75 | CYP3A4 (0.61) | CYP3A4MAOAALDH1A1LMNATRPA1 | |
| SCHEMBL4599981 | 0.75 | CYP3A4 (0.47) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL4599983 | 0.75 | CYP3A4 (0.47) | CYP3A4NFE2L2MAOBCYP19A1MAOA | |
| SCHEMBL30657694 | 0.74 | NFE2L2 (0.46) | CYP3A4NFE2L2MAOBCYP19A1MAOA |
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-3555203-A1 | DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND | Repsol, S.A. (ES) | 2019-10-23 | — | — | EP | disclosed |
| US-20190315906-A1 | DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND | REPSOL SA (ES) | 2019-10-17 | — | — | US | disclosed |
| WO-2018108950-A1 | DISULFIDE-CONTAINING SELF-HEALING POLYMER BLEND | REPSOL, S.A. (ES) | 2018-06-21 | — | — | WO | disclosed |