Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 5/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 5/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 4/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658570 | 0.86 | ALDH1A1 (0.46) | TSHRCES2CES1ALDH1A1TP53 | |
| SCHEMBL11458916 | 0.82 | — | — | |
| SCHEMBL11458905 | 0.82 | — | — | |
| SCHEMBL10777977 | 0.76 | HDAC1 (0.41) | TSHRHDAC1HDAC2CHRM1AKR1A1 | |
| SCHEMBL2418243 | 0.76 | — | — | |
| SCHEMBL5274414 | 0.76 | CHRM1 (0.43) | TSHRCES2CES1HDAC1HDAC2 | |
| SCHEMBL11058800 | 0.76 | — | — | |
| SCHEMBL6970099 | 0.76 | — | — | |
| SCHEMBL11801715 | 0.75 | CES2 (0.52) | TSHRCES2CES1ALDH1A1 | |
| SCHEMBL10646004 | 0.75 | CES2 (0.52) | TSHRCES2CES1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4481373-A | CATALYTIC OXIDATION OF OLEFINS IN PRESENCE OF TERTIARY AMINE OF AMIDE | TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) | 1984-11-06 | — | — | US | disclosed |
| US-4275200-A | CONDENSATION OF CARBAMIC ESTERS WITH X-HALOGEN CARBONYL COMPOUNDS | AGFA-GEVAERT, A.G. (DE) | 1981-06-23 | — | — | US | disclosed |
| US-4059447-A | Photographic material containing oxazolinone-2 couplers | AGFA-GEVAERT AKTIENGESELLSCHAFT (DT) | 1977-11-22 | — | — | US | disclosed |