Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 9/20 | 0.50 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3993817 | 0.82 | BRD4 (0.61) | CYP3A4LMNACYP1A2ADORA3CYP2D6 | |
| SCHEMBL3993198 | 0.82 | SMN1; SMN2 (0.42) | LMNATDP1BRD4ALDH1A1MEN1 | |
| SCHEMBL4052998 | 0.80 | ACACB (0.40) | ESR1ESR2MAPTLMNASLC6A3 | |
| SCHEMBL3993015 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19BRD4 | |
| SCHEMBL1511329 | 0.80 | HDAC3 (0.44) | LMNATDP1BRD4ALDH1A1CA1 | |
| SCHEMBL3739027 | 0.79 | SRC (0.50) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL356020 | 0.79 | LMNA (0.47) | MAPTCYP3A4LMNACYP2D6TDP1 | |
| SCHEMBL10970026 | 0.77 | ESR1 (0.41) | ESR1ESR2PDCD1CD274MAPT | |
| SCHEMBL7431895 | 0.77 | ESR1 (0.41) | ESR1ESR2PDCD1CD274MAPT | |
| Methyl Alcohol SCHEMBL28233463 | 0.77 | LMNA (0.46) | MAPTCYP3A4LMNACYP2D6ALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3036221-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE MODULATORS OF NR2B | Luc Therapeutics, Inc. (US) | 2016-06-29 | — | — | EP | disclosed |
| WO-2015048507-A1 | SELECTIVE OCTAHYDRO-CYCLOPENTA[C] PYRROLE NEGATIVE MODULATORS OF NR2B | MNEMOSYNE PHARMACEUTICALS, INC. (US) | 2015-04-02 | — | — | WO | disclosed |
| WO-2011126733-A2 | COMBINATION THERAPIES: INHIBITORS OF GABA TRANSAMINASE AND NKCC1 | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2011-10-13 | — | — | WO | disclosed |
| EP-1235776-A1 | TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | Hormos Medical Corporation (FI) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001036360-A1 | TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS | HORMOS MEDICAL CORPORATION (FI) | 2001-05-25 | — | — | WO | disclosed |