Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.43 |
| ▸ | RAB9A | P51151 | 8/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5065135 | 0.73 | HTR2C (0.34) | — | |
| SCHEMBL27775278 | 0.71 | NPC1 (0.53) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL2243516 | 0.69 | KDM4E (0.52) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL3076524 | 0.69 | NPC1 (0.63) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL29942654 | 0.69 | NPC1 (0.63) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL29614829 | 0.69 | NPC1 (0.63) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL29966674 | 0.69 | NPC1 (0.63) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL2076567 | 0.68 | HSP90AA1 (0.57) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL9453979 | 0.67 | ALDH1A1 (0.66) | NPC1RAB9AKMT2AALDH1A1MAPK10 | |
| SCHEMBL4232322 | 0.67 | NPC1 (0.53) | NPC1RAB9AKMT2AALDH1A1MAPK10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1778639-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR Technology, Inc. (US) | 2007-05-02 | — | — | EP | disclosed |
| WO-2006020049-A2 | ARYL-AND HETEROARYL-SUBSTITUTED TETRAHYDROISOQUINOLINES AND USE THEREOF TO BLOCK REUPTAKE OF NOREPINEPHRINE, DOPAMINE, AND SEROTONIN | AMR TECHNOLOGY, INC. (US) | 2006-02-23 | — | — | WO | disclosed |