Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL892810 | 0.89 | THRB (0.44) | TAAR1LMNAAOC3THRBALDH1A1 | |
| SCHEMBL9750485 | 0.81 | TAAR1 (0.42) | TAAR1LMNAAOC3POLBTHRB | |
| Isopropylbenzene SCHEMBL6248407 | 0.80 | TAAR1 (0.43) | TAAR1LMNAAOC3POLBALDH1A1 | |
| SCHEMBL13403919 | 0.80 | THRB (0.41) | TAAR1LMNAAOC3THRBALDH1A1 | |
| SCHEMBL13641888 | 0.80 | THRB (0.41) | TAAR1LMNAAOC3THRBALDH1A1 | |
| Ether SCHEMBL28580867 | 0.79 | DPP4 (0.41) | TAAR1LMNA | |
| SCHEMBL9233735 | 0.78 | L3MBTL1 (0.39) | TAAR1LMNAPOLBTHRBALDH1A1 | |
| SCHEMBL9619659 | 0.77 | LMNA (0.43) | TAAR1LMNAAOC3THRBALDH1A1 | |
| Ether SCHEMBL27911682 | 0.77 | TAAR1 (0.45) | TAAR1LMNAAOC3ALDH1A1 | |
| SCHEMBL7929659 | 0.76 | THRB (0.41) | TAAR1LMNAAOC3THRBALDH1A1 |
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-5585528-A | Cobalt-catalyzed process for preparing 1,3-propanediol using a lipophilic tertiary amine promoter | SHELL OIL COMPANY (US) | 1996-12-17 | — | — | US | disclosed |