Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 4/20 | 0.42 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL27451528 | 0.85 | SIGMAR1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL9863713 | 0.78 | ALDH1A1 (0.52) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Fluoride SCHEMBL27972865 | 0.76 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL4823765 | 0.76 | ALDH1A1 (0.65) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL1461571 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL9863624 | 0.74 | TAAR1 (0.52) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL9741303 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL62125 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| Benzene SCHEMBL3440179 | 0.73 | ALDH1A1 (0.69) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL1595018 | 0.72 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5459145-A | Calcium independent camp phosphodiesterase inhibitor antidepressant | PFIZER INC. (US) | 1995-10-17 | — | — | US | disclosed |
| US-5294730-A | A-Amino-4-alkoxy-3-polycycloalkyloxybenzyl cyanide derivatives | PFIZER INC. (US) | 1994-03-15 | — | — | US | disclosed |
| EP-0247725-B1 | Calcium independent camp phosphodiestrerase inhibitor antidepressant | PFIZER (US) | 1994-03-02 | — | — | EP | disclosed |
| US-5196426-A | CALCIUM INDEPENDENT C AMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT | PFIZER INC. (US) | 1993-03-23 | — | — | US | disclosed |
| US-5128358-A | Aryl substituted nitrogen heterocyclic antidepressants | PFIZER INC. (US) | 1992-07-07 | — | — | US | disclosed |
| EP-0247725-A2 | Calcium independent camp phosphodiestrerase inhibitor antidepressant | PFIZER INC. (US) | 1987-12-02 | — | — | EP | disclosed |
| WO-1987006576-A1 | CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT | PFIZER INC. (US) | 1987-11-05 | — | — | WO | disclosed |