Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 4/20 | 0.46 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.46 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.46 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8876628 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL7073031 | 0.80 | ALDH1A1 (0.52) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL27726516 | 0.79 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| Dimefline SCHEMBL30539856 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| Dimefline SCHEMBL668130 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| Dimefline SCHEMBL121889 | 0.76 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL31632248 | 0.76 | CYP2C19 (0.69) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL16225802 | 0.76 | ABCG2 (0.49) | ALDH1A1CYP3A4ABCG2ABCC1CYP1A1 | |
| SCHEMBL8876949 | 0.75 | LMNA (0.48) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8086231 | 0.74 | ALDH1A1 (0.46) | ALDH1A1TSHRTDP1LMNAKDM4E |
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 |