Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.42 |
| ▸ | GPR119 | Q8TDV5 | 3/20 | 0.42 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.42 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.42 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.40 |
| ▸ | KIT | P10721 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ESRRB | O95718 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14745432 | 0.94 | MAPT (0.47) | ALDH1A1LMNAMAPTALKGPR119 | |
| SCHEMBL17595032 | 0.92 | LMNA (0.42) | ALDH1A1LMNAMAPTALKGPR119 | |
| SCHEMBL14745604 | 0.84 | POLB (0.43) | ALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL17595141 | 0.81 | ABCB1 (0.40) | ALDH1A1LMNAMAPTALKGPR119 | |
| SCHEMBL14745621 | 0.81 | L3MBTL1 (0.43) | ALDH1A1LMNAMAPTGPR119SMN1; SMN2 | |
| SCHEMBL14741099 | 0.79 | PARP1 (0.41) | ALDH1A1LMNAMAPTHTT | |
| SCHEMBL14745092 | 0.79 | PARP1 (0.43) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL14741042 | 0.78 | DHODH (0.44) | ALDH1A1LMNAMAPTSMN1; SMN2HTT | |
| SCHEMBL14745094 | 0.78 | PDE3B (0.40) | ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL14740829 | 0.77 | SLC16A3 (0.45) | ALDH1A1LMNAMAPTMEN1KMT2A |
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-2016039936-A2 | MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS | PTC THERAPEUTICS, INC. (US) | 2016-03-17 | — | — | WO | claimed |