Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7918929 | 0.81 | HTT (0.37) | ALDH1A1CYP2C19CYP1A2TDP1HTT | |
| SCHEMBL383187 | 0.79 | L3MBTL1 (0.44) | ALDH1A1TDP1KDM4EHTTLMNA | |
| SCHEMBL2088203 | 0.78 | TUBB4A (0.49) | ALDH1A1TDP1KDM4EHTTMEN1 | |
| SCHEMBL27561415 | 0.75 | CYP3A4 (0.41) | ALDH1A1CYP2C19CYP1A2TDP1KDM4E | |
| SCHEMBL3353885 | 0.74 | ALDH1A1 (0.47) | ALDH1A1TDP1KDM4EHTTLMNA | |
| SCHEMBL4293853 | 0.73 | ALDH1A1 (0.48) | ALDH1A1CYP2C19CYP1A2HTTLMNA | |
| Acetic Acid Methyl Ester SCHEMBL27561416 | 0.73 | LMNA (0.46) | ALDH1A1CYP2C19CYP1A2LMNAMEN1 | |
| SCHEMBL6975821 | 0.72 | MAPT (0.52) | ALDH1A1LMNAMEN1KMT2AMAPT | |
| SCHEMBL7372393 | 0.72 | KMT2A (0.46) | ALDH1A1TDP1KDM4EHTTLMNA | |
| SCHEMBL29830329 | 0.72 | MAOB (0.45) | ALDH1A1CYP2C19CYP1A2TDP1KDM4E |
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-6221863-B1 | TREATING DEPRESSION IN A PATIENT | AMERICAN HOME PRODUCTS CORP. | 2001-04-24 | — | — | US | disclosed |
| WO-2000040581-A1 | 3,4-DIHYDRO-2H-BENZO[1,4]OXAZINE DERIVATIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-07-13 | — | — | WO | disclosed |