Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 5/20 | 0.40 |
| ▸ | CES2 | O00748 | 4/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CA4 | P22748 | 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 | |
|---|---|---|---|---|
| SCHEMBL560304 | 1.00 | MEN1 (0.46) | MEN1KMT2AALDH1A1MAPK1TDP1 | |
| SCHEMBL2098803 | 1.00 | MEN1 (0.46) | MEN1KMT2AALDH1A1MAPK1TDP1 | |
| SCHEMBL18690045 | 0.88 | MEN1 (0.39) | MEN1KMT2AALDH1A1MAPK1TDP1 | |
| SCHEMBL26490231 | 0.81 | PARP10 (0.57) | MEN1KMT2AALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL23275547 | 0.81 | PARP10 (0.57) | MEN1KMT2AALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL2559260 | 0.79 | CES2 (0.46) | ALDH1A1MAPK1CES1CES2TSHR | |
| SCHEMBL2559262 | 0.79 | CES2 (0.46) | ALDH1A1MAPK1CES1CES2TSHR | |
| SCHEMBL8338715 | 0.79 | CES2 (0.46) | ALDH1A1MAPK1CES1CES2TSHR | |
| SCHEMBL11172576 | 0.78 | AKR1C3 (0.57) | ALDH1A1SMN1; SMN2KDM4ELMNA | |
| SCHEMBL11172580 | 0.78 | AKR1C3 (0.57) | ALDH1A1SMN1; SMN2KDM4ELMNA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4992577-A | Preparation of 3-vinyl-substituted 2,2-dimethylcyclopropane-1-carboxylic acids and esters and intermediates therefor | BAYER AKTIENGESELLSCHAFT (DE) | 1991-02-12 | — | — | US | disclosed |
| US-4755599-A | 3-phenyl-2-propeneamine derivatives, their preparation and composition containing them | RHONE-POULENC SANTE (FR) | 1988-07-05 | — | — | US | disclosed |
| US-4686309-A | ANTIDEPRESSANTS | RHONE-POULENC SANTE (FR) | 1987-08-11 | — | — | US | disclosed |
| EP-0095047-B1 | PROCESS FOR THE PREPARATION OF 3-VINYL-SUBSTITUTED 2,2-DIMETHYL-CYCLOPROPANE-1-CARBOXYLIC ACIDS OR THEIR ESTERS, AND INTERMEDIATE PRODUCTS THEREFOR | BAYER AG (DE) | 1985-11-27 | — | — | EP | disclosed |
| US-4521422-A | ANTICONVULSANT, ANTIEPILEPTIC AGENTS, SEDATIVES, MUSCLE RELAXANTS | AMERICAN CYANAMID COMPANY (US) | 1985-06-04 | — | — | US | disclosed |
| EP-0129847-A2 | Aryl and heteroaryl[7-(aryl and heteroaryl)-pyrazolo-[1,5-a]-pyrimidin-3-yl]methanones | AMERICAN CYANAMID COMPANY (US) | 1985-01-02 | — | — | EP | disclosed |
| US-4221895-A | POLYESTER, POLYSULFONATE, OR POLYSULFINATE | THE DOW CHEMICAL COMPANY (US) | 1980-09-09 | — | — | US | disclosed |