Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.39 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.39 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Biphenyl SCHEMBL27693989 | 0.97 | ALDH1A1 (0.50) | ALDH1A1PDE4BMAPTSMN1; SMN2SLC22A2 | |
| Formic Acid Methyl Ester SCHEMBL28597388 | 0.84 | CYP1A2 (0.62) | ALDH1A1SMN1; SMN2SLC6A4LMNAHTT | |
| Formic Acid Methyl Ester SCHEMBL16044022 | 0.83 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2MAPK1CYP2A6 | |
| Biphenyl SCHEMBL2685852 | 0.81 | ALDH1A1 (0.50) | ALDH1A1PDE4BMAPTSMN1; SMN2SLC22A2 | |
| Formic Acid Methyl Ester SCHEMBL28487193 | 0.80 | ALDH1A1 (0.46) | ALDH1A1MAPTLMNAMAPK1HPGD | |
| Benzene SCHEMBL27297436 | 0.80 | TDP1 (0.32) | ALDH1A1CA4CYP2A6KMT2A | |
| Toluene SCHEMBL4302343 | 0.79 | ACHE (0.58) | ALDH1A1MAPTSMN1; SMN2LMNAHPGD | |
| Tert-Butyl Formate SCHEMBL28032597 | 0.78 | TDP1 (0.59) | ALDH1A1PDE4BMAPTSMN1; SMN2SLC22A2 | |
| Biphenyl SCHEMBL28018506 | 0.78 | ALDH1A1 (0.53) | ALDH1A1PDE4BMAPTSMN1; SMN2SLC22A2 | |
| Biphenyl SCHEMBL2948084 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MAPTSMN1; SMN2SLC22A2SLC22A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1886130-A | Use of 2-thia-dibenzo [ e, h ] azulenes for the manufacture of pharmaceutical formulations for the treatment and prevention of central nervous system diseases and disorders | PLIVA ISTRAZIVACKI INST D O O (HR) | 2006-12-27 | — | — | CN | claimed |
| CN-1886130-A | Use of 2-thia-dibenzo [ e, h ] azulenes for the manufacture of pharmaceutical formulations for the treatment and prevention of central nervous system diseases and disorders | PLIVA ISTRAZIVACKI INST D O O (HR) | 2006-12-27 | — | — | CN | disclosed |