Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.40 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.40 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | RXRG | P48443 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 4-Methylbenzoic Acid SCHEMBL7798453 | 0.91 | KDM4E (0.46) | KDM4EATMTDP1ALDH1A1MAPT | |
| SCHEMBL7798405 | 0.90 | SMN1; SMN2 (0.46) | KDM4EATMTDP1ALDH1A1MAPT | |
| SCHEMBL7798806 | 0.87 | KDM4E (0.60) | KDM4EATMTDP1ALDH1A1MMP1 | |
| SCHEMBL7798027 | 0.86 | KDM4E (0.46) | KDM4ETDP1ALDH1A1MAPTPPARD | |
| Tyramine SCHEMBL8039128 | 0.84 | SRD5A2 (0.41) | KDM4ETDP1ALDH1A1L3MBTL1TAAR1 | |
| Phenethylamine SCHEMBL7799012 | 0.84 | RXRA (0.42) | ALDH1A1TAAR1RXRARXRBRXRG | |
| SCHEMBL7798427 | 0.83 | SRD5A2 (0.40) | ATMALDH1A1MAPTTSHRTAAR1 | |
| SCHEMBL8037475 | 0.83 | RXRA (0.44) | PPARDPPARARXRARXRBRXRG | |
| SCHEMBL7798600 | 0.82 | SRD5A2 (0.46) | RXRARXRBSMN1; SMN2 | |
| SCHEMBL7792608 | 0.82 | HPGD (0.46) | KDM4EALDH1A1MAPTRXRARXRB |
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-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |