Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | PARP10 | Q53GL7 | 10/20 | 0.43 |
| ▸ | PARP15 | Q460N3 | 5/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PARP14 | Q460N5 | 3/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.38 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9258145 | 1.00 | CYP2C9 (0.56) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| SCHEMBL2762400 | 0.87 | CYP2C9 (0.69) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| Hydrochloric Acid SCHEMBL28200483 | 0.85 | CYP2C9 (0.67) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| SCHEMBL3670145 | 0.84 | TP53 (0.43) | CYP2C9HDAC8HDAC6HDAC1HDAC2 | |
| SCHEMBL3670143 | 0.84 | TP53 (0.43) | CYP2C9HDAC8HDAC6HDAC1HDAC2 | |
| SCHEMBL6853901 | 0.83 | HDAC2 (0.43) | CYP2C9HDAC8HDAC6HDAC1HDAC2 | |
| SCHEMBL460922 | 0.81 | CYP2C9 (0.51) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| SCHEMBL460921 | 0.81 | CYP2C9 (0.51) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| SCHEMBL461355 | 0.81 | CYP2C9 (0.51) | CYP2C9PARP10PARP15PARP2DGAT1 | |
| SCHEMBL461356 | 0.81 | CYP2C9 (0.51) | CYP2C9PARP10PARP15PARP2DGAT1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5454974-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1995-10-03 | — | — | US | disclosed |
| US-5302317-A | Halobenzene liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1994-04-12 | — | — | US | disclosed |
| US-5230826-A | HALOBENZENE LIQUID CRYSTALS | HOFFMANN-LA ROCHE INC. (US) | 1993-07-27 | — | — | US | disclosed |
| US-5013477-A | Alkenylbicyclohexane liquid crystals | HOFFMANN-LA ROCHE INC. (US) | 1991-05-07 | — | — | US | disclosed |