Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.66 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.59 |
| ▸ | MAOB | P27338 | 1/20 | 0.59 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.59 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | CES1 | P23141 | 1/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | RECQL | P46063 | 1/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.55 |
| ▸ | BRAF | P15056 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 3/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | MITF | O75030 | 1/20 | 0.54 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11220464 | 1.00 | AKR1C1 (0.66) | AKR1C1AKR1C2BCHEMAOBPTGS2 | |
| SCHEMBL11220467 | 1.00 | AKR1C1 (0.66) | AKR1C1AKR1C2BCHEMAOBPTGS2 | |
| SCHEMBL7813609 | 0.94 | AKR1C1 (0.66) | AKR1C1AKR1C2BCHEMAOBPTGS2 | |
| SCHEMBL15777306 | 0.94 | AKR1C1 (0.66) | AKR1C1AKR1C2BCHEMAOBPTGS2 | |
| SCHEMBL7813612 | 0.94 | AKR1C1 (0.66) | AKR1C1AKR1C2BCHEMAOBPTGS2 | |
| SCHEMBL11218837 | 0.88 | BCHE (0.56) | AKR1C1BCHEMAOBCES2CES1 | |
| SCHEMBL11218840 | 0.88 | BCHE (0.56) | AKR1C1BCHEMAOBCES2CES1 | |
| SCHEMBL11216772 | 0.83 | MAPT (0.62) | AKR1C1MAOBCES2CES1MEN1 | |
| SCHEMBL7828363 | 0.83 | MAPT (0.62) | AKR1C1MAOBCES2CES1MEN1 | |
| SCHEMBL7828360 | 0.83 | MAPT (0.62) | AKR1C1MAOBCES2CES1MEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4342781-A | PREVENTING AND TREATING ALLERGIC BRONCHIAL ASTHMA, RHINITIS AND SKIN DISORDERS | PFIZER INC. (US) | 1982-08-03 | — | — | US | disclosed |