Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.59 |
| ▸ | ABAT | P80404 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | DBH | P09172 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8733637 | 0.86 | XDH (0.58) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL30477507 | 0.83 | SNCA (0.62) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL69585 | 0.83 | SNCA (0.62) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL11002820 | 0.83 | MAPK1 (0.60) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL6947527 | 0.83 | TSHR (0.48) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL1736272 | 0.81 | POLB (0.62) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL1025776 | 0.80 | POLB (0.56) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL3529585 | 0.80 | POLB (0.56) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL346032 | 0.80 | POLB (0.65) | ALDH5A1ABATMAPTNPSR1POLB | |
| SCHEMBL532173 | 0.80 | POLB (0.56) | ALDH5A1ABATMAPTNPSR1POLB |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9926332-B2 | Dihydro-oxazinobenzodiazepine compounds, a process for their preparation and pharmaceutical compositions containing them | EGIS GYOGYSZERGYAR ZRT. (HU) | 2018-03-27 | — | — | US | disclosed |
| EP-2970114-A1 | IDO INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014150646-A1 | IDO INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-09-25 | — | — | WO | disclosed |
| WO-2010111626-A2 | POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-30 | — | — | WO | disclosed |
| EP-2035004-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | Parion Sciences, Inc. (US) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007146869-A1 | PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY | PARION SCIENCES, INC. (US) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007146867-A2 | ALIPHATIC PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS WITH BETA AGONIST ACTIVITY | PARION SCIENCES INC. (US) | 2007-12-21 | — | — | WO | disclosed |
| EP-1677783-A2 | FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE | Nicholas Piramal India Limited (IN) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005035495-A2 | FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE | NICHOLAS PIRAMAL INDIA LIMITED (IN) | 2005-04-21 | — | — | WO | disclosed |
| WO-1997037646-A1 | CATECHOLAMINE SURROGATES USEFUL AS β3 AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1997-10-16 | — | — | WO | disclosed |
| EP-0772585-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1997-05-14 | — | — | EP | disclosed |
| WO-1996004233-A1 | ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF | SMITHKLINE BEECHAM PLC (GB) | 1996-02-15 | — | — | WO | disclosed |