Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1581790 | 0.78 | ALDH1A1 (0.47) | ALDH1A1HTTPOLBL3MBTL1KMT2A | |
| SCHEMBL3107109 | 0.74 | LMNA (0.57) | KMT2ACYP1A2LMNAMEN1PDE4B | |
| SCHEMBL10957480 | 0.73 | POLB (0.40) | ALDH1A1POLBCYP1A2LMNAPTGS2 | |
| SCHEMBL14143389 | 0.72 | ALDH1A1 (0.42) | ALDH1A1HTTPOLBL3MBTL1KMT2A | |
| SCHEMBL5049110 | 0.70 | POLB (0.38) | ALDH1A1POLBCYP1A2LMNAPTGS2 | |
| SCHEMBL3106968 | 0.70 | CYP1A2 (0.54) | ALDH1A1KMT2ACYP1A2LMNAMEN1 | |
| SCHEMBL907903 | 0.68 | POLB (0.40) | ALDH1A1POLBKMT2ALMNAMEN1 | |
| Toluene SCHEMBL2212138 | 0.67 | POLB (0.42) | ALDH1A1POLBLMNAPTGS2KDM4E | |
| SCHEMBL24191817 | 0.66 | POLB (0.35) | ALDH1A1POLBPDE3A | |
| SCHEMBL2596200 | 0.66 | PTGS2 (0.41) | POLBCYP1A2LMNAPTGS2AKR1B1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009124166-A1 | HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2009-10-08 | — | — | WO | disclosed |