Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.38 |
| ▸ | METAP1 | P53582 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | GMNN | O75496 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | THPO | P40225 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | CETP | P11597 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21937903 | 0.85 | SPHK1 (0.45) | SPHK1TSHROPRM1TRPV1TRPA1 | |
| SCHEMBL13211882 | 0.78 | METAP1 (0.38) | SPHK1METAP1TSHROPRM1TRPV1 | |
| SCHEMBL18520646 | 0.78 | OPRM1 (0.38) | SPHK1METAP1TSHROPRM1TRPV1 | |
| SCHEMBL20791965 | 0.78 | OPRM1 (0.38) | SPHK1METAP1TSHROPRM1TRPV1 | |
| SCHEMBL13674199 | 0.78 | TSHR (0.39) | SPHK1METAP1TSHRLMNACYP3A4 | |
| SCHEMBL597644 | 0.76 | TSHR (0.40) | TSHROPRM1CYP3A4 | |
| SCHEMBL26316428 | 0.76 | TSHR (0.40) | TSHROPRM1TRPV1TRPA1CYP3A4 | |
| SCHEMBL11955452 | 0.76 | LMNA (0.42) | SPHK1TSHRLMNA | |
| SCHEMBL28399821 | 0.74 | LMNA (0.41) | SPHK1TSHRTRPA1LMNA | |
| SCHEMBL19176624 | 0.74 | OPRM1 (0.35) | METAP1TSHROPRM1 |
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-0287696-B1 | ISOQUINOLINE DERIVATIVES | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1991-01-02 | — | — | EP | disclosed |
| EP-0287696-A1 | Isoquinoline derivatives | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1988-10-26 | — | — | EP | disclosed |