Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9418969 | 0.88 | CMA1 (0.35) | ALDH1A1POLBTSHRHTR2AHTR2C | |
| SCHEMBL9418964 | 0.75 | CMA1 (0.42) | ALDH1A1KMT2APDE4BCMA1AHR | |
| SCHEMBL18293057 | 0.74 | HTR2B (0.41) | ALDH1A1POLBTSHRHTR2AHTR2C | |
| SCHEMBL8370875 | 0.71 | TDP2 (0.47) | ALDH1A1PDE4BCMA1AHRBRD4 | |
| SCHEMBL9419023 | 0.70 | TDP2 (0.42) | PDE4BCMA1AHRBRD4TDP2 | |
| SCHEMBL7796330 | 0.69 | CMA1 (0.47) | ALDH1A1PDE4BCMA1AHRBRD4 | |
| SCHEMBL9418949 | 0.68 | CMA1 (0.42) | ALDH1A1PDE4BCMA1AHRBRD4 | |
| SCHEMBL7928975 | 0.68 | ADRA2A (0.40) | HTR2AHTR2CHTR2BKMT2AOPRM1 | |
| SCHEMBL484599 | 0.67 | PDE4B (0.46) | MEN1KMT2ACA1CA2PDE4B | |
| SCHEMBL4419838 | 0.67 | PBRM1 (0.50) | ALDH1A1POLBTSHRHTR2AHTR2C |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0315071-B1 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | HOFFMANN LA ROCHE (CH) | 1994-07-20 | — | — | EP | disclosed |
| US-4992574-A | Skin disorders, antiallergens, antiinflammatory agent | HOFFMANN-LA ROCHE INC. (US) | 1991-02-12 | — | — | US | disclosed |
| EP-0315071-A2 | Benzocyclohepten derivatives, their preparation and utilisation for pharmaceutics | F. HOFFMANN-LA ROCHE AG (CH) | 1989-05-10 | — | — | EP | disclosed |