Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MC5R | P33032 | 2/20 | 0.68 |
| ▸ | MC3R | P41968 | 2/20 | 0.68 |
| ▸ | MC1R | Q01726 | 2/20 | 0.68 |
| ▸ | HTR2A | P28223 | 2/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | HTR1A | P08908 | 1/20 | 0.61 |
| ▸ | HTT | P42858 | 1/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.61 |
| ▸ | G6PD | P11413 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | BLM | P54132 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL19803338 | 0.94 | MC5R (0.68) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL17117987 | 0.88 | HTR2A (0.70) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL1972443 | 0.88 | MC5R (0.68) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL17232881 | 0.83 | MC5R (0.83) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL798249 | 0.82 | MC1R (1.00) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL7970552 | 0.81 | MC5R (0.81) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL1972829 | 0.80 | HTR2A (1.00) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL11344810 | 0.80 | MC5R (0.73) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL10923944 | 0.80 | HTR2A (0.70) | MC5RMC3RMC1RHTR2AALDH1A1 | |
| SCHEMBL25029618 | 0.79 | MC5R (0.71) | MC5RMC3RMC1RHTR2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3760623-A1 | TETRAHYDRO-PYRIDO[3,4-B]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | F. Hoffmann-La Roche AG (CH) | 2021-01-06 | — | — | EP | disclosed |
| EP-3233852-B1 | TETRAHYDRO-PYRIDO[3,4-B]INDOLES AS ESTROGEN RECEPTOR MODULATORS AND USES THEREOF | HOFFMANN LA ROCHE (CH) | 2020-07-15 | — | — | EP | disclosed |
| WO-2018130124-A1 | TRICYCLIC COMPOUND AS SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATOR AND USE THEREOF | 南京圣和药业股份有限公司 | 2018-07-19 | — | — | WO | disclosed |
| WO-2018130123-A1 | PENTACYCLIC COMPOUND AS SELECTIVE ESTROGEN RECEPTOR DOWN-REGULATOR AND USE THEREOF | 南京圣和药业股份有限公司 | 2018-07-19 | — | — | WO | disclosed |