Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | ALPL | P05186 | 1/20 | 0.53 |
| ▸ | ALPG | P10696 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL4563662 | 0.87 | ALDH1A1 (0.54) | ALDH1A1HRH3CYP2C9ALOX15CYP2C19 | |
| SCHEMBL4563563 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDRECQLALPL | |
| SCHEMBL4564094 | 0.85 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDRECQLCYP2C9 | |
| SCHEMBL4529378 | 0.80 | F10 (0.55) | ALDH1A1HPGDRECQLHRH3CYP2C9 | |
| SCHEMBL12896004 | 0.79 | ASIC3 (0.49) | MAOB | |
| SCHEMBL11678584 | 0.77 | KDM4E (0.62) | ALDH1A1KDM4EHPGDRECQLALPL | |
| Hydrochloric Acid SCHEMBL11678840 | 0.76 | ALPL (0.64) | ALDH1A1KDM4EHPGDRECQLALPL | |
| Hydrochloric Acid SCHEMBL8791256 | 0.75 | ALDH1A1 (0.66) | ALDH1A1KDM4EHPGDRECQLALPL | |
| SCHEMBL4563267 | 0.75 | HPGD (0.46) | HPGDACHEMCHR1 | |
| SCHEMBL30428318 | 0.74 | ALDH1A1 (0.59) | ALDH1A1KDM4EMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2125741-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | Janssen Pharmaceutica, N.V. (BE) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008109336-A1 | TETRAHYDROISOQUINOLINE COMPOUNDS AS MODULATORS OF THE HISTAMINE H3 RECEPTOR | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-09-12 | — | — | WO | disclosed |