Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 1.00 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.77 |
| ▸ | P4HB | P07237 | 1/20 | 0.77 |
| ▸ | MAOB | P27338 | 7/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | MAOA | P21397 | 1/20 | 0.60 |
| ▸ | CXCL12 | P48061 | 1/20 | 0.58 |
| ▸ | CTSL | P07711 | 1/20 | 0.57 |
| ▸ | CTSB | P07858 | 1/20 | 0.57 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.57 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.57 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.57 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.57 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.57 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL6374235 | 1.00 | CYP1A1 (1.00) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| SCHEMBL6200382 | 1.00 | CYP1A1 (1.00) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| SCHEMBL6200379 | 1.00 | CYP1A1 (1.00) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| SCHEMBL11816722 | 0.93 | CYP1A1 (0.87) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| SCHEMBL11816718 | 0.93 | CYP1A1 (0.87) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| Bromide SCHEMBL11817515 | 0.92 | CYP1A1 (0.84) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| Hydrochloric Acid SCHEMBL11819369 | 0.92 | CYP1A1 (0.84) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| Bromide SCHEMBL11817521 | 0.92 | CYP1A1 (0.84) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| Hydrochloric Acid SCHEMBL11819375 | 0.92 | CYP1A1 (0.84) | CYP1A1CYP1B1TNFRSF1AP4HBMAOB | |
| SCHEMBL7196521 | 0.88 | TNFRSF1A (1.00) | CYP1A1CYP1B1TNFRSF1AMAOBMAOA |
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-1017659-B1 | SUBSTITUTED TETRAHYDRONAPHTHALINE AND ANALOGOUS COMPOUNDS | BAYER HEALTHCARE AG (DE) | 2005-04-27 | — | — | EP | disclosed |
| US-6586613-B1 | Compounds such as 5-(tert-butyldimethylsiloxy)-7,7-dimethyl -4(4-fluorophenyl)-3-(hydroxy-(4-trifluorophenyl)-methyl)-2-isopropyl -5,6,7,8-tetrahydronaphthalene, used as antagonists for cholesteryl ester transferase protein; hyperlipemia | BAYER AKTIENGELLSCHAFT (DE) | 2003-07-01 | — | — | US | disclosed |