Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | PLK1 | P53350 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | RELA | Q04206 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19043241 | 0.92 | NQO1 (0.58) | NQO1ALDH1A1KDM4ESMN1; SMN2TSHR | |
| SCHEMBL19043228 | 0.88 | LTA4H (0.52) | ALDH1A1KDM4ESMN1; SMN2TSHRCA12 | |
| SCHEMBL11281493 | 0.84 | LMNA (0.64) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT | |
| SCHEMBL5258294 | 0.84 | NR5A1 (0.56) | TSHRCA12CA1CA2CA7 | |
| SCHEMBL7928344 | 0.83 | MAPT (0.50) | ALDH1A1SMN1; SMN2TDP1CA12CA1 | |
| SCHEMBL9808662 | 0.83 | DRD2 (0.55) | HPGD | |
| SCHEMBL19043296 | 0.82 | NR5A1 (0.59) | TSHRLTA4H | |
| 1,4-Diethoxybenzene SCHEMBL28074334 | 0.82 | NQO1 (0.70) | NQO1ALDH1A1KDM4ETSHRTDP1 | |
| SCHEMBL19287122 | 0.82 | KDM4E (0.45) | ALDH1A1KDM4ESMN1; SMN2PLK1RECQL | |
| SCHEMBL6212388 | 0.81 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2LMNAMAPT |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| CN-1107146-A | A process for preparing a composition containing benzoheterocycles | OTSUKA PHARMA CO LTD (JP) | 1995-08-23 | — | — | CN | disclosed |
| CN-1027505-C | Process for preparing benzoheterocyclic compounds | OTSUKA PHARMA CO LTD (JP) | 1995-01-25 | — | — | CN | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |
| CN-1051038-A | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1991-05-01 | — | — | CN | disclosed |