Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 | P27487 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 4/20 | 0.40 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CSNK2A2 | P19784 | 4/20 | 0.38 |
| ▸ | CSNK2B | P67870 | 4/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KDM6B | O15054 | 1/20 | 0.37 |
| ▸ | KDM4A | O75164 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | KDM4D | Q6B0I6 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
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 | 0.81 | KDM4C (0.46) | HIPK2DHODHKDM4EALDH1A1CSNK2A2 | |
| SCHEMBL11741274 | 0.79 | KDM4E (0.49) | HIPK2DHODHALKKDM4EALDH1A1 | |
| SCHEMBL11740591 | 0.76 | KDM4C (0.44) | HIPK2KDM4EALDH1A1CSNK2A2CSNK2B | |
| SCHEMBL11740037 | 0.76 | DHODH (0.40) | HIPK2DHODHTNFCSNK2A1CYP3A4 | |
| SCHEMBL3146455 | 0.74 | HSD17B10 (0.59) | DPP4KDM4EALDH1A1HSD17B10MEN1 | |
| SCHEMBL6794058 | 0.74 | CYP2A6 (0.50) | HIPK2KDM4ETNFIMPDH2CLK1 | |
| Hydrochloric Acid SCHEMBL11726958 | 0.73 | KMT2A (0.57) | DPP4KDM4EALDH1A1HSD17B10MEN1 | |
| Hydrochloric Acid SCHEMBL11737866 | 0.72 | CYP2A6 (0.48) | HIPK2KDM4ETNFIMPDH2CLK1 | |
| SCHEMBL13708857 | 0.71 | DHODH (0.46) | DHODHKDM4EALDH1A1CSNK2A2CSNK2B | |
| SCHEMBL11741231 | 0.71 | MAPK10 (0.47) | HIPK2MAPTIMPDH2JAK2JAK1 |
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 |