Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.81 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.81 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.60 |
| ▸ | HPGD | P15428 | 1/20 | 0.60 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.60 |
| ▸ | ABAT | P80404 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.54 |
| ▸ | APP | P05067 | 2/20 | 0.53 |
| ▸ | FDPS | P14324 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.50 |
| ▸ | NQO2 | P16083 | 1/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Isovanillin SCHEMBL70256 | 0.90 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL29396443 | 0.90 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL1535672 | 0.90 | ALDH1A1 (1.00) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Vanillin SCHEMBL356799 | 0.87 | ALDH1A1 (0.81) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL28052909 | 0.86 | ALDH1A1 (0.93) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL11562339 | 0.85 | ALDH1A1 (0.71) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL8703725 | 0.85 | ALDH1A1 (0.89) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Vanillin SCHEMBL4411107 | 0.84 | ALDH1A1 (0.76) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Vanillin SCHEMBL10854393 | 0.83 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 | |
| Isovanillin SCHEMBL15259649 | 0.83 | ALDH1A1 (0.86) | ALDH1A1AOX1TRIM24HPGDALDH5A1 |
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-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 |
| CN-1018827-B | CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT | PFIZER (US) | 1992-10-28 | — | — | CN | 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 |
| CN-87103225-A | Antidepressant noncalcium Cyclic Adenosine Monophosphate (CAMP) phosphodiesterase inhibitor | — | 1987-11-11 | — | — | CN | disclosed |
| WO-1987006576-A1 | CALCIUM INDEPENDENT CAMP PHOSPHODIESTERASE INHIBITOR ANTIDEPRESSANT | PFIZER INC. (US) | 1987-11-05 | — | — | WO | disclosed |