Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 2/20 | 0.66 |
| ▸ | RXRB | P28702 | 2/20 | 0.66 |
| ▸ | RXRG | P48443 | 2/20 | 0.66 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.64 |
| ▸ | MAOB | P27338 | 6/20 | 0.64 |
| ▸ | MAOA | P21397 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.53 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11959143 | 0.93 | MAOB (0.72) | RXRARXRBRXRGNR4A2MAOB | |
| Methyl Alcohol SCHEMBL9626623 | 0.92 | RXRA (0.68) | RXRARXRBRXRGNR4A2MAOB | |
| Alcohol SCHEMBL9628500 | 0.89 | RXRA (0.64) | RXRARXRBRXRGNR4A2MAOB | |
| Propanol SCHEMBL9627268 | 0.86 | RXRA (0.61) | RXRARXRBRXRGNR4A2MAOB | |
| Isopropylamine SCHEMBL9628060 | 0.84 | MAOB (0.65) | RXRARXRBRXRGNR4A2MAOB | |
| Ethylamine SCHEMBL9628064 | 0.84 | MAOB (0.69) | RXRARXRBRXRGNR4A2MAOB | |
| SCHEMBL3624161 | 0.83 | MAOB (0.73) | RXRARXRBRXRGNR4A2MAOB | |
| SCHEMBL3823697 | 0.82 | RXRA (0.69) | RXRARXRBRXRGNR4A2MAOB | |
| Benzylphenylether SCHEMBL22314 | 0.82 | LMNA (0.69) | NR4A2MAOBMAOACYP1A2CYP2C19 | |
| SCHEMBL4698486 | 0.81 | NR4A2 (0.66) | RXRARXRBRXRGNR4A2MAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2609089-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2013-07-03 | — | — | EP | disclosed |
| WO-2012025638-A1 | SELECTIVE 17BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS | Universität des Saarlandes (DE) | 2012-03-01 | — | — | WO | disclosed |