Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | THPO | P40225 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.51 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8959903 | 0.83 | TSHR (0.65) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL5935743 | 0.83 | TSHR (0.65) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30388638 | 0.81 | CYP3A4 (0.61) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3265121 | 0.81 | CYP3A4 (0.61) | ALDH1A1TSHRCYP1A2CYP2D6CYP2C9 | |
| SCHEMBL30901572 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL30901552 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL30901530 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL30901527 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL29220145 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 | |
| SCHEMBL29220152 | 0.81 | TSHR (0.63) | ALDH1A1TSHRLMNAKDM4EMAPK1 |
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-5646098-A | Carbonyl containing compounds and their derivatives as multi-functional fuel and lube additives | EXXON CHEMICAL PATENTS INC (US) | 1997-07-08 | — | — | US | disclosed |
| US-5550241-A | Adducts of cyclic carbonyl monomers and substituted alkens | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1996-08-27 | — | — | US | disclosed |