Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.58 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR7 | P34969 | 3/20 | 0.41 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 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 | |
|---|---|---|---|---|
| SCHEMBL14861532 | 0.94 | CYP1A2 (0.56) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL28365923 | 0.92 | CYP1A2 (0.55) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL14861444 | 0.92 | CYP1A2 (0.55) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| Bromide SCHEMBL31425229 | 0.89 | CYP1A2 (0.51) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL1561038 | 0.88 | CYP1A2 (0.62) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL2017584 | 0.87 | CYP1A2 (0.67) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL15508580 | 0.82 | CYP1A2 (0.60) | CYP1A2ADRA2ADRD2HTR2AHTR7 | |
| SCHEMBL12715969 | 0.81 | — | — | |
| SCHEMBL19376421 | 0.81 | CYP1A2 (0.57) | CYP1A2ADRA2AALDH1A1S1PR1S1PR3 | |
| SCHEMBL4298771 | 0.80 | CYP1A2 (0.58) | CYP1A2ADRA2ACHRM1ALDH1A1S1PR1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4341906-A | ANALGESICS | PFIZER INC. (US) | 1982-07-27 | — | — | US | disclosed |
| US-4310669-A | TETRALONE | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310668-A | Intermediates to 1,9-dihydroxyoctahydrophenanthrenes | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4310529-A | ANALGESICS | PFIZER INC. (US) | 1982-01-12 | — | — | US | disclosed |
| US-4270005-A | ANALGESICS | PFIZER INC. (US) | 1981-05-26 | — | — | US | disclosed |
| US-4268523-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4268692-A | ANALGESICS | PFIZER INC. (US) | 1981-05-19 | — | — | US | disclosed |
| US-4237133-A | ANALGESICS | PFIZER INC. (US) | 1980-12-02 | — | — | US | disclosed |
| US-4188495-A | 1,9-Dihydroxyoctahydrophenanthrenes and intermediates therefor | PFIZER INC. (US) | 1980-02-12 | — | — | US | disclosed |