Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | F2 | P00734 | 1/20 | 0.41 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | VNN1 | O95497 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3844535 | 0.83 | CA1 (0.53) | TDP1F2PRSS1PRSS2PRSS3 | |
| SCHEMBL11795859 | 0.82 | ALDH1A1 (0.55) | ALDH1A1GAAHSD17B10SMN1; SMN2PTGS2 | |
| SCHEMBL29453108 | 0.82 | ALDH1A1 (0.58) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL28004 | 0.82 | ALDH1A1 (0.58) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL14409326 | 0.81 | AKT1 (0.52) | ALDH1A1GAAHSD17B10SMN1; SMN2PTGS2 | |
| Hydrochloric Acid SCHEMBL35358 | 0.80 | ALDH1A1 (0.56) | ALDH1A1GAAHSD17B10SMN1; SMN2AKR1C1 | |
| SCHEMBL28753387 | 0.80 | SMN1; SMN2 (0.54) | ALDH1A1GAAHSD17B10SMN1; SMN2TDP1 | |
| SCHEMBL27781055 | 0.80 | SMN1; SMN2 (0.57) | ALDH1A1GAAHSD17B10SMN1; SMN2TDP1 | |
| SCHEMBL271385 | 0.79 | L3MBTL1 (0.52) | ALDH1A1HSD17B10TDP1CA1CA2 | |
| SCHEMBL212547 | 0.78 | ALDH1A1 (0.57) | ALDH1A1GAAHSD17B10SMN1; SMN2NPC1 |
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-6465485-B1 | SUCH AS 7-CYANO-2-(2-(1-(4-(2-INDOLYL)CARBOXAMIDO)CYCLO-HEXYL)ETHYL)-1,2,3,4 -TETRAHYDROISOQUINOLINE; ANTIPSYCHOTIC AGENTS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-10-15 | — | — | US | disclosed |
| EP-0983244-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998050364-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | SMITHKLINE BEECHAM PLC (GB) | 1998-11-12 | — | — | WO | disclosed |
| US-5663414-A | INHIBITS PHOSPHOLIPASE ACTIVITY; ANTIISCHEMIC AGENTS; TREATMENT OF CARDIAC INFRACTION | EISAI CO., LTD. (JP) | 1997-09-02 | — | — | US | disclosed |
| EP-0468054-B1 | BENZENESULFONAMIDE DERIVATIVE | EISAI CO LTD (JP) | 1997-05-28 | — | — | EP | disclosed |
| US-5530118-A | PHOSPHOLIPASE INHIBITOR | EISAI CO., LTD. (JP) | 1996-06-25 | — | — | US | disclosed |
| EP-0468054-A1 | BENZENESULFONAMIDE DERIVATIVE | Eisai Co., Ltd. (JP) | 1992-01-29 | — | — | EP | disclosed |