Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS2 | P35228 | 7/20 | 0.39 |
| ▸ | NOS3 | P29474 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.34 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL22114199 | 0.77 | HTR2C (0.38) | TSHRHTR2ACDK8CDK5GPR3 | |
| SCHEMBL11611667 | 0.68 | — | — | |
| SCHEMBL24399524 | 0.68 | HTR2A (0.43) | TSHRHTR2ASLC22A2SLC22A3CDK8 | |
| SCHEMBL701783 | 0.68 | NOS3 (0.38) | NOS2NOS3TSHR | |
| SCHEMBL568436 | 0.67 | HTR2C (0.49) | HTR2AHTR2CCYP11B1CYP11B2 | |
| SCHEMBL8892757 | 0.67 | CYP11B1 (0.35) | NOS2NOS3NOS1HTR5ACYP11B1 | |
| Hydrochloric Acid SCHEMBL702635 | 0.67 | TSHR (0.40) | NOS2NOS3TSHR | |
| SCHEMBL19237102 | 0.66 | CDK8 (0.43) | TSHRHTR2ACDK8CDK5GPR3 | |
| Methylamine SCHEMBL11650011 | 0.66 | HTR2A (0.38) | HTR2AHTR2C | |
| SCHEMBL7708893 | 0.66 | CYP2A6 (0.43) | HTR2C |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6063789-A | Aminoisoquinolines and aminotheinopyridine derivatives and their use as anti-inflammatory agents | ASTRA PHARMACEUTICALS, LTD. (GB) | 2000-05-16 | — | — | US | disclosed |
| EP-0892784-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Astra Pharmaceuticals Limited (GB) | 1999-01-27 | — | — | EP | disclosed |
| WO-1997038977-A1 | AMINOISOQUINOLINES AND AMINOTHIENOPYRIDINE DERIVATIVES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | ASTRA PHARMACEUTICALS LTD. (GB) | 1997-10-23 | — | — | WO | disclosed |
| US-4127720-A | ANTIALLERGENS | BRISTOL-MYERS COMPANY (US) | 1978-11-28 | — | — | US | disclosed |