Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 4/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL115842 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL7049252 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL662184 | 0.85 | CYP3A4 (0.39) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| Hydrochloric Acid SCHEMBL1450177 | 0.83 | TDP1 (0.38) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL11681580 | 0.83 | CYP3A4 (0.38) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL29514487 | 0.83 | CYP3A4 (0.38) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL16859262 | 0.83 | CYP3A4 (0.38) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL18214942 | 0.83 | CYP3A4 (0.38) | CYP3A4TDP1TAAR1SLC6A2ESR1 | |
| SCHEMBL16192583 | 0.82 | CYP3A4 (0.33) | CYP3A4TDP1TAAR1SLC6A2 | |
| SCHEMBL8763939 | 0.81 | CYP3A4 (0.36) | CYP3A4TDP1TAAR1SLC6A2ESR1 |
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-0490445-B1 | Catalyst compositions | SHELL INT RESEARCH (NL) | 1996-02-28 | — | — | EP | disclosed |
| EP-0490445-A2 | Catalyst compositions | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-06-17 | — | — | EP | disclosed |