Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MGAM | O43451 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | SI | P14410 | 1/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7325650 | 1.00 | KMT2A (0.46) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL7325646 | 1.00 | KMT2A (0.46) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL22474313 | 0.84 | KMT2A (0.44) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL13168067 | 0.83 | ALDH1A1 (0.47) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL5413373 | 0.83 | CA12 (0.47) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL11747029 | 0.81 | KMT2A (0.44) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL13168062 | 0.79 | APAF1 (0.42) | KMT2AALDH1A1PKMCYP1A2CYP2D6 | |
| SCHEMBL13647304 | 0.78 | KMT2A (0.46) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL23817190 | 0.78 | KMT2A (0.44) | KMT2AALDH1A1TSHRPKMCYP1A2 | |
| SCHEMBL8549771 | 0.78 | ALDH1A1 (0.59) | KMT2AALDH1A1TSHRADRB2ADRB1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311053-A2 | Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-04-12 | — | — | EP | claimed |
| JP-1216972-A | — | — | None | — | — | JP | disclosed |
| US-5494923-A | Method of ameliorating cerebral circulation | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-02-27 | — | — | US | disclosed |
| US-5444077-A | Ameliorant of cerebral circulation and optical isomer of NB-818, processes for its use | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1995-08-22 | — | — | US | disclosed |
| US-4988717-A | Optically active 1,4-dihydropyridine esters useful for treating circulatory illnesses | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-29 | — | — | US | disclosed |
| JP-H01216972-A | OPTICALLY ACTIVE 1,4-DIHYDROPYRIDINE DERIVATIVE, PRODUCTION AND USE THEREOF | BANYU PHARMACEUT CO LTD | 1989-08-30 | — | — | JP | disclosed |
| EP-0311053-A2 | Ameliorant of cerebral circulation and optical isomer of nb-818, processes for its production and its use | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1989-04-12 | — | — | EP | disclosed |
| EP-0211584-A1 | Antihypertensive agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1987-02-25 | — | — | EP | disclosed |
| US-4618678-A | 4-(2,3-dichloro-6-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-1,7-naphthyridine-3-carboxylic acid 2-(2,3-dichlorophenoxy)ethyl ester | AMERICAN HOME PRODUCTS CORPORATION (US) | 1986-10-21 | — | — | US | disclosed |
| US-4596873-A | 1,4,5,6,7,8-Hexahydro-2-alkyl-4-aryl-5-oxo-1,7-naphthyridine-3-carboxylic acid aromatic esters and pharmaceutically acceptable acid addition salts thereof useful as antihypertensive agents | AMERICAN HOME PRODUCTS CORPORATION (US) | 1986-06-24 | — | — | US | disclosed |
| US-4510310-A | 1,4-Dihydro-2,6-dimethyl-4-(2'-chlorophenyl)-3,5-dicarboxylic acid,methyl or ethyl,trifluoroethyl ester | BAYER AKTIENGESELLSCHAFT (DE) | 1985-04-09 | — | — | US | disclosed |