Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MTOR | P42345 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GRM7 | Q14831 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.40 |
| ▸ | AKT1 | P31749 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | NEK4 | P51957 | 2/20 | 0.40 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.40 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL11127091 | 0.89 | ALDH1A1 (0.54) | TAAR1HTR2AALDH1A1KDM4EMTOR | |
| SCHEMBL258306 | 0.84 | MAN2A1 (0.49) | ALDH1A1KDM4EMTORRAB9AGRM7 | |
| SCHEMBL22810528 | 0.81 | TAAR1 (0.45) | TAAR1HTR2AMTORRAB9AGRM7 | |
| SCHEMBL21799747 | 0.81 | SIGMAR1 (0.46) | TAAR1HTR2AALDH1A1MTORRAB9A | |
| SCHEMBL18872887 | 0.81 | LMNA (0.45) | ALDH1A1KDM4EMTORRAB9AGRM7 | |
| SCHEMBL12637135 | 0.81 | HTR2A (0.48) | TAAR1HTR2AALDH1A1MTORRAB9A | |
| SCHEMBL5049798 | 0.79 | SIGMAR1 (0.49) | TAAR1HTR2AALDH1A1RAB9ALMNA | |
| SCHEMBL21799461 | 0.78 | ALDH1A1 (0.53) | TAAR1HTR2AALDH1A1LMNA | |
| SCHEMBL21799774 | 0.78 | CYP3A4 (0.49) | TAAR1HTR2AALDH1A1MTORRAB9A | |
| Monoethanolamine SCHEMBL4640189 | 0.77 | MTOR (0.63) | TAAR1HTR2AALDH1A1KDM4EMTOR |
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 |
|---|---|---|---|---|---|---|---|
| US-4880934-A | Preparation of hydroxyalkylpiperazinones by reacting a 2,3-dihydroxy-1,4-dioxane with a hydroalkyldiamine | THE DOW CHEMICAL COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| US-4814443-A | Preparation of hydroxyalkylpiperazinones by reacting glyoxal with hydroxyalkyldiamines | THE DOW CHEMICAL COMPANY (US) | 1989-03-21 | — | — | US | disclosed |