Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | METAP2 | P50579 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL14982984 | 0.79 | CYP3A4 (0.37) | CYP3A4CHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL25493699 | 0.72 | CYP3A4 (0.33) | CYP3A4MEN1KMT2APOLB | |
| SCHEMBL14404998 | 0.70 | CHRM2 (0.38) | CYP3A4CHRM2CHRM1CHRM4CHRM3 | |
| SCHEMBL18038409 | 0.69 | ALDH1A1 (0.37) | CYP3A4CHRM2CHRM1ACHEMEN1 | |
| SCHEMBL21004855 | 0.69 | CYP3A4 (0.34) | CYP3A4MEN1KMT2APOLB | |
| SCHEMBL1928919 | 0.69 | — | — | |
| SCHEMBL30879479 | 0.68 | CYP3A4 (0.40) | CYP3A4ACHE | |
| SCHEMBL21001023 | 0.67 | CYP3A4 (0.33) | CYP3A4 | |
| SCHEMBL21011970 | 0.67 | CYP19A1 (0.33) | CYP3A4 | |
| SCHEMBL21001087 | 0.66 | CYP3A4 (0.33) | CYP3A4MEN1KMT2ATSHRPOLB |
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-0013048-B1 | 8-SUBSTITUTED BICYCLO(3.2.1)OCTANES AND PROCESSES FOR THE PREPARATION THEREOF | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1983-08-24 | — | — | EP | disclosed |
| US-4239707-A | USEFUL AS HEAT STABLE LIGANDS FOR CATALYTIC SYSTEMS AND AS CHEMICAL INTERMEDIATES PREPARED FROM 1,5-DIMETHYL-1,5-CYCLOOCTADIENE | SHELL OIL COMPANY (US) | 1980-12-16 | — | — | US | disclosed |
| US-4218348-A | PERFUMES | SHELL OIL COMPANY (US) | 1980-08-19 | — | — | US | disclosed |
| EP-0013048-A2 | 8-Substituted bicyclo(3.2.1)octanes and processes for the preparation thereof | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1980-07-09 | — | — | EP | disclosed |