Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.35 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.33 |
| ▸ | ADH1C | P00326 | 1/20 | 0.33 |
| ▸ | ADH1A | P07327 | 1/20 | 0.33 |
| ▸ | ADH4 | P08319 | 1/20 | 0.33 |
| ▸ | ADH7 | P40394 | 1/20 | 0.33 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.33 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.33 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28266162 | 0.82 | ALDH1A1 (0.44) | ALDH1A1 | |
| 2-Heptanol SCHEMBL28839399 | 0.82 | SPHK1 (0.42) | OPRM1LMNASMPD1CA1SPHK1 | |
| SCHEMBL23993 | 0.82 | — | — | |
| SCHEMBL27784606 | 0.82 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| Hexane SCHEMBL1303513 | 0.82 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| SCHEMBL27976941 | 0.82 | OPRM1 (0.58) | OPRM1LMNACA1SPHK1TP53 | |
| Hexane SCHEMBL10697149 | 0.82 | ALDH1A1 (0.57) | LMNAALDH1A1DNM1 | |
| Hexane SCHEMBL95579 | 0.82 | ALDH1A1 (0.57) | LMNAALDH1A1DNM1 | |
| Hexane SCHEMBL15970043 | 0.80 | ALDH1A1 (0.42) | OPRM1LMNAALDH1A1SMPD1CA1 | |
| Hexadecane SCHEMBL23000686 | 0.79 | OPRM1 (0.55) | OPRM1LMNASPHK1ADH1BADH1C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5043471-A | Process for the preparation of polyisocyanates | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-27 | — | — | US | disclosed |