Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 7/20 | 0.47 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8877335 | 0.83 | LMNA (0.55) | TP53SMN1; SMN2MAPTMEN1KMT2A | |
| SCHEMBL8980608 | 0.83 | L3MBTL1 (0.55) | KCNJ1KCNH2SMN1; SMN2MAPTGAA | |
| SCHEMBL8876258 | 0.80 | TSHR (0.47) | SMN1; SMN2MAPTMEN1KMT2AMAPK1 | |
| SCHEMBL8876846 | 0.80 | KDM4E (0.44) | SMN1; SMN2MAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL8876492 | 0.78 | KMT2A (0.52) | SMN1; SMN2MAPTMEN1KMT2AALDH1A1 | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 | 0.78 | KCNJ1 (0.68) | KCNJ1KCNH2MAPTMEN1KMT2A | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 | 0.77 | KCNJ1 (0.67) | KCNJ1KCNH2MAPTMEN1KMT2A | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 | 0.77 | KCNJ1 (0.67) | KCNJ1KCNH2MAPTMEN1KMT2A | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 | 0.77 | KCNJ1 (0.67) | KCNJ1KCNH2MAPTMEN1KMT2A | |
| SCHEMBL8876303 | 0.75 | TDP1 (0.50) | SMN1; SMN2MAPTMEN1KMT2AALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5605896-A | Bicyclic heterocyclic derivatives having α1 adrenergic and 5HT1A activities | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1997-02-25 | — | — | US | disclosed |
| US-5474994-A | Treating hypertension, urethral and lower urinary tract contractions | RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) | 1995-12-12 | — | — | US | disclosed |
| WO-1993017007-A1 | HETEROBICYCLIC COMPOUNDS | RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) | 1993-09-02 | — | — | WO | disclosed |
| EP-0558245-A1 | Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors | RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) | 1993-09-01 | — | — | EP | disclosed |