Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.80 |
| ▸ | FAAH | O00519 | 2/20 | 0.70 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.70 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.46 |
| ▸ | ADH1B | P00325 | 1/20 | 0.46 |
| ▸ | ADH1C | P00326 | 1/20 | 0.46 |
| ▸ | ADH1A | P07327 | 1/20 | 0.46 |
| ▸ | ADH4 | P08319 | 1/20 | 0.46 |
| ▸ | ADH7 | P40394 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | EP300 | Q09472 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Heptanal SCHEMBL2454694 | 1.00 | TSHR (0.80) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Tridecanal SCHEMBL9083185 | 1.00 | TSHR (0.80) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Octanal SCHEMBL2453523 | 1.00 | TSHR (0.80) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Hexanal SCHEMBL2449154 | 0.97 | TSHR (0.75) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Dodecanol SCHEMBL8387775 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Hexanal SCHEMBL5504335 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Hexanal SCHEMBL2635617 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Hexanal SCHEMBL28743151 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Octanal SCHEMBL6061355 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 | |
| Heptanal SCHEMBL2635440 | 0.93 | TSHR (0.76) | TSHRFAAHTRPV1LMNAALDH1A1 |
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-0939632-B1 | NON-PEPTIDYL VASOPRESSIN V1a ANTAGONISTS | LILLY CO ELI (US) | 2005-10-05 | — | — | EP | claimed |
| EP-0004951-B1 | N-(3-BENZOYLPROPYL)-SPIRO-(DIHYDROBENZOFURANPIPERIDINES AND -PYRROLIDINES), DERIVATIVES THEREOF, METHODS FOR THEIR PREPARATION AND THEIR USE FOR MEDICINES | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-13 | — | — | EP | claimed |