Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.61 |
| ▸ | TSHR | P16473 | 6/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | PKM | P14618 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | PKLR | P30613 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL20595150 | 1.00 | KDM4E (0.61) | KDM4ETSHRALDH1A1PKMMAPT | |
| SCHEMBL4556004 | 0.86 | PKM (0.71) | KDM4ETSHRALDH1A1PKMMAPT | |
| SCHEMBL28213830 | 0.83 | PKM (0.54) | TSHRALDH1A1PKMMAPTPKLR | |
| SCHEMBL4578854 | 0.83 | CNR1 (0.66) | TSHRALDH1A1PKMMAPTPKLR | |
| SCHEMBL29432528 | 0.83 | PKM (0.54) | KDM4ETSHRALDH1A1PKMMAPT | |
| SCHEMBL25941353 | 0.83 | ALDH1A1 (0.65) | KDM4ETSHRALDH1A1PKMMAPT | |
| SCHEMBL14501504 | 0.83 | GAA (0.56) | KDM4ETSHRALDH1A1MAPTCYP3A4 | |
| SCHEMBL24711308 | 0.81 | HTR2A (0.53) | TSHRALDH1A1PKMMAPTPKLR | |
| SCHEMBL28254881 | 0.80 | TSHR (0.55) | KDM4ETSHRALDH1A1PKMMAPT | |
| SCHEMBL4166290 | 0.80 | ALDH1A1 (0.67) | KDM4ETSHRALDH1A1MAPTL3MBTL1 |
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-2134714-A1 | TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY | Biovitrum AB (publ) (SE) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008110598-A1 | TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY | BIOVITRUM AB (PUBL) (SE) | 2008-09-18 | — | — | WO | disclosed |