Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.37 |
| ▸ | NPC1 | O15118 | 4/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11103008 | 0.81 | TAAR1 (0.39) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL11114157 | 0.72 | PDE3B (0.47) | TAAR1RAB9APKMMEN1KMT2A | |
| SCHEMBL9522462 | 0.68 | TAAR1 (0.47) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL11100926 | 0.68 | CYP11B1 (0.55) | NPC1RAB9AKDM4EMEN1ALDH1A1 | |
| SCHEMBL10727054 | 0.65 | TAAR1 (0.36) | TAAR1HTR1A | |
| SCHEMBL10724402 | 0.64 | TAAR1 (0.35) | TAAR1HTR1A | |
| SCHEMBL9196454 | 0.64 | TAAR1 (0.44) | TAAR1HTR1AADRA2AADRA2BADRA2C | |
| SCHEMBL10968242 | 0.64 | SMN1; SMN2 (0.38) | TAAR1SMN1; SMN2KMT2AHTR1AMAPT | |
| SCHEMBL1679282 | 0.61 | TAAR1 (0.64) | TAAR1SMN1; SMN2ALDH1A1HTR1AADRA2A | |
| SCHEMBL9433627 | 0.61 | TAAR1 (0.40) | TAAR1SMN1; SMN2KDM4EMEN1ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0122419-A2 | Substituted 3-mercaptopyridazines, their 3-alkylthio derivatives and processes for their preparation | A. Nattermann & Cie. GmbH (DE) | 1984-10-24 | — | — | EP | disclosed |