Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.57 |
| ▸ | CA2 | P00918 | 5/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 2/20 | 0.53 |
| ▸ | CES1 | P23141 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.50 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.50 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9220929 | 1.00 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL8895115 | 0.85 | CA1 (0.61) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL4775774 | 0.83 | CA1 (0.59) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL4775778 | 0.83 | CA1 (0.59) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL10722665 | 0.81 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL31160503 | 0.81 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL29241975 | 0.81 | CA1 (0.57) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL4539035 | 0.80 | AKR1C3 (0.78) | CA1CA2AKR1C3MEN1KMT2A | |
| SCHEMBL8552065 | 0.80 | CA1 (0.55) | CA1CA2AKR1C3CES2CES1 | |
| SCHEMBL8552071 | 0.80 | CA1 (0.55) | CA1CA2AKR1C3CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-7126210-A | — | — | None | — | — | JP | disclosed |
| WO-2015087094-A1 | NEW ARYLALKENYLPROPARGYLAMINE DERIVATIVES EXHIBITING NEUROPROTECTIVE ACTION FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | SEMMELWEIS EGYETEM (HU) | 2015-06-18 | — | — | WO | disclosed |
| JP-H07126210-A | (E)-2-ARYL-3-FLUOROACRYLIC ACID AND ITS PRODUCTION | HITACHI CHEM CO LTD | 1995-05-16 | — | — | JP | disclosed |