Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | KMO | O15229 | 1/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9627942 | 1.00 | HSD11B1 (0.40) | HSD11B1HDAC8HDAC6HDAC1MRGPRX4 | |
| SCHEMBL901209 | 0.82 | TSHR (0.57) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL2321634 | 0.82 | TSHR (0.57) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL901207 | 0.82 | TSHR (0.57) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL9628155 | 0.82 | NPC1 (0.49) | HDAC8HDAC6HDAC1TSHRNPC1 | |
| SCHEMBL9481208 | 0.82 | NPC1 (0.49) | HDAC8HDAC6HDAC1TSHRNPC1 | |
| Hydrochloric Acid SCHEMBL4290507 | 0.80 | TSHR (0.55) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL28005910 | 0.79 | ESR2 (0.59) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL13267390 | 0.78 | SERPINE1 (0.53) | HDAC8HDAC6HDAC1MRGPRX4TP53 | |
| SCHEMBL24087489 | 0.77 | HDAC8 (0.56) | HSD11B1HDAC8HDAC6HDAC1MRGPRX4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5174921-A | BICYCLOHEXYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1992-12-29 | — | — | US | disclosed |