Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.38 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.38 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL2871970 | 0.76 | — | — | |
| SCHEMBL25493088 | 0.70 | HTR2A (0.41) | LMNA | |
| SCHEMBL16472556 | 0.65 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL1134704 | 0.65 | CYP3A4 (0.48) | CYP3A4MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL12210461 | 0.64 | TAAR1 (0.42) | CYP3A4CYP2D6CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL8204533 | 0.63 | CYP2D6 (0.49) | CYP3A4CYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL24192821 | 0.61 | CYP3A4 (0.38) | CYP3A4CYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL8005199 | 0.60 | CYP3A4 (0.44) | CYP3A4MEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL12043681 | 0.60 | ACHE (0.64) | CYP3A4CYP2D6CYP2C19MEN1ALDH1A1 | |
| SCHEMBL4766558 | 0.60 | MAOA (0.53) | CYP3A4CYP2D6CYP2C19MEN1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5126461-A | Silica in organic solution | SHELL RESEARCH LIMITED (GB) | 1992-06-30 | — | — | US | disclosed |
| EP-0432818-A2 | Process for opening cyclopropane rings | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-06-19 | — | — | EP | disclosed |