Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.47 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | CDC42 | P60953 | 1/20 | 0.44 |
| ▸ | RAC1 | P63000 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8485741 | 0.86 | SLC6A3 (0.49) | SLC6A3SLC6A2SLC6A4CYP1A2TSHR | |
| SCHEMBL8479983 | 0.85 | SLC6A3 (0.64) | SLC6A3TDP1L3MBTL1POLBSMYD3 | |
| SCHEMBL8480268 | 0.80 | ALOX5 (0.66) | — | |
| SCHEMBL13476487 | 0.76 | SLC6A3 (0.67) | SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL11460679 | 0.76 | AKR1C3 (0.60) | AKR1C3AKR1C2PTGS1AKR1C1TDP1 | |
| SCHEMBL4757343 | 0.75 | POLB (0.54) | AKR1C3AKR1C2PTGS1POLBSMYD3 | |
| SCHEMBL506523 | 0.74 | TDP1 (0.71) | AKR1C3AKR1C2PTGS1AKR1C1TDP1 | |
| SCHEMBL3280876 | 0.74 | TDP1 (0.71) | AKR1C3AKR1C2PTGS1AKR1C1TDP1 | |
| SCHEMBL31619540 | 0.74 | TDP1 (0.71) | AKR1C3AKR1C2PTGS1AKR1C1TDP1 | |
| SCHEMBL10955574 | 0.74 | SLC6A2 (0.70) | SLC6A3SLC6A2SLC6A4L3MBTL1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5925646-A | Heterocyclic aryl-, alkyl- and cycloalkylacetamides | BAYER AKTIENGESELLSCHAFT (DE) | 1999-07-20 | — | — | US | disclosed |
| US-5747505-A | Heterocyclic aryl-, alkyl- and cycloalkylacetamides | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-05 | — | — | US | disclosed |