Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHODH | Q02127 | 4/20 | 0.40 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.36 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.36 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.36 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.36 |
| ▸ | TYK2 | P29597 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TNF | P01375 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27867069 | 0.77 | KDM4C (0.46) | DHODHHIPK2TNF | |
| SCHEMBL3370877 | 0.77 | HPGD (0.53) | KMOCNR2ABCC9ABCC8KCNJ11 | |
| SCHEMBL11740499 | 0.76 | DPP4 (0.44) | DHODHHIPK2CSNK2A1TYK2TNF | |
| SCHEMBL11741274 | 0.76 | KDM4E (0.49) | DHODHHIPK2POLBTNFCYP3A4 | |
| SCHEMBL11741973 | 0.75 | CLK1 (0.39) | DHODHHIPK2CNR2ABCC9ABCC8 | |
| SCHEMBL11736162 | 0.75 | CLK1 (0.39) | HIPK2TNFCYP3A4 | |
| SCHEMBL11740941 | 0.73 | IMPDH2 (0.40) | HIPK2CSNK2A1NPC1POLBTNF | |
| SCHEMBL6644857 | 0.73 | CLK1 (0.45) | POLBTNFCYP3A4 | |
| SCHEMBL28496431 | 0.73 | ASPH (0.45) | DHODHELANECSNK2A1KMONPC1 | |
| Hydrochloric Acid SCHEMBL11741400 | 0.72 | IMPDH2 (0.39) | HIPK2CSNK2A1NPC1POLBTNF |
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 |
|---|---|---|---|---|---|---|---|
| US-4062961-A | SUBSTITUTED 1,2,3,4-TETRAHYDROISOQUINOLINES | SMITHKLINE CORPORATION (US) | 1977-12-13 | — | — | US | disclosed |
| US-3988339-A | 7 OR 8-SUBSTITUTED 1,2,3,4-TETRAHYDRO-ISOQUINOLINE | SMITHKLINE CORPORATION (US) | 1976-10-26 | — | — | US | disclosed |