Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | PNMT | P11086 | 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 | |
|---|---|---|---|---|
| SCHEMBL197486 | 0.93 | ALDH1A1 (0.46) | TDP1CYP3A4TSHRALDH1A1MEN1 | |
| SCHEMBL29851249 | 0.93 | ALDH1A1 (0.46) | TDP1CYP3A4TSHRALDH1A1MEN1 | |
| SCHEMBL9788874 | 0.83 | CYP3A4 (0.60) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL9624166 | 0.83 | MEN1 (0.41) | TDP1CYP3A4TSHRALDH1A1RAB9A | |
| SCHEMBL11004135 | 0.82 | SIGMAR1 (0.42) | TDP1CYP3A4MAPTSIGMAR1PNMT | |
| Chlorobenzene SCHEMBL7171696 | 0.82 | CYP3A4 (0.67) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL15698273 | 0.82 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL1314228 | 0.82 | TDP1 (0.75) | TDP1CYP3A4ESR1ESR2ALDH1A1 | |
| SCHEMBL4385826 | 0.81 | CYP3A4 (0.46) | TDP1CYP3A4TSHRESR1ESR2 | |
| SCHEMBL25730255 | 0.81 | TAAR1 (0.52) | TDP1CYP3A4TSHRESR1ESR2 |
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-0271145-B1 | PROCESS FOR THE CARBONYLATION OF CONJUGATED DIENES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-21 | — | — | EP | disclosed |
| US-4824817-A | Catalyst for the carbonylation of conjugated dienes | SHELL OIL COMPANY (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0271145-A2 | Process for the carbonylation of conjugated dienes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-06-15 | — | — | EP | disclosed |