Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 7/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.36 |
| ▸ | THRA | P10827 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | PPARD | Q03181 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8296050 | 0.87 | NPC1 (0.34) | NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL8305593 | 0.78 | XDH (0.40) | XDHCYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8298256 | 0.77 | THRA (0.46) | XDHCYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8293940 | 0.72 | THRA (0.35) | KDM4EALDH1A1HPGDL3MBTL1HTT | |
| SCHEMBL5722723 | 0.72 | LTA4H (0.35) | RARB | |
| SCHEMBL7930592 | 0.72 | LTA4H (0.35) | RARB | |
| SCHEMBL8506802 | 0.68 | KDM4E (0.45) | XDHCYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8506798 | 0.68 | KDM4E (0.45) | XDHCYP19A1CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6863866 | 0.68 | KDM4E (0.51) | CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL7110595 | 0.68 | KDM4E (0.51) | CYP19A1CYP2D6CYP2C9CYP2C19CYP1A2 |
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-0828716-B1 | TRIFLUORTETRAHYDRO-ISOQUINOLINE DERIVATIVES AND THE USE THEREOF IN LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 1999-12-01 | — | — | EP | disclosed |
| US-5904877-A | CHEMICAL, THERMAL AND LIGHT STABILITY | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-05-18 | — | — | US | disclosed |