Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.60 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.60 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 6/20 | 0.48 |
| ▸ | CA1 | P00915 | 6/20 | 0.48 |
| ▸ | CA2 | P00918 | 6/20 | 0.48 |
| ▸ | CA7 | P43166 | 6/20 | 0.48 |
| ▸ | CA9 | Q16790 | 6/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 6/20 | 0.48 |
| ▸ | ESR1 | P03372 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 1/20 | 0.46 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.46 |
| ▸ | ERN1 | O75460 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7018973 | 0.88 | HDAC3 (0.73) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL2659566 | 0.82 | HDAC3 (0.62) | HDAC3HDAC4HDAC1HDAC6TSHR | |
| SCHEMBL5068414 | 0.81 | HDAC3 (0.65) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL3253491 | 0.81 | HDAC3 (0.65) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL7421051 | 0.79 | HDAC3 (0.63) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL2046044 | 0.79 | HDAC3 (0.63) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL64687 | 0.79 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC6ESR1 | |
| SCHEMBL5737861 | 0.79 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC6CA12 | |
| SCHEMBL1455540 | 0.79 | ALDH1A1 (0.65) | HDAC3HDAC4HDAC1HDAC6TSHR | |
| SCHEMBL5023778 | 0.79 | HDAC3 (0.58) | HDAC3HDAC4HDAC1HDAC6CA12 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6465646-B1 | 1-alkoxy and 1-acyloxy substituted cyclohex-1-ene compounds and sulfur and 1-alkoxycarbonyl analogs having retinoid-like biological activity | ALLERGAN, INC. | 2002-10-15 | — | — | US | disclosed |
| US-6465647-B1 | Oxygen, sulfur and nitrogen substituted cyclohexene and cyclohexane derivatives having retinoid-like biological activity | ALLERGAN, INC. | 2002-10-15 | — | — | US | disclosed |
| US-6177588-B1 | HAVING RETINOID-LIKE, RETINOID ANTAGONIST OR RETINOID INVERSE AGONIST-LIKE BIOACTIVITY; SIDE EFFECT REDUCTION; SKIN DISORDERS; ANTIPROLIFERATIVE AND -CARCINOGENIC AGENTS; MICROBIOCIDES; VISION DEFECTS; CARDIOVASCULAR DISORDERS | ALLERGAN SALES, INC. | 2001-01-23 | — | — | US | disclosed |
| US-6166244-A | Oxygen, sulfur and nitrogen substituted cyclohexene and cyclohexane derivatives having retinoid-like biological activity | ALLERGAN SALES, INC. (US) | 2000-12-26 | — | — | US | disclosed |
| WO-2000068190-A2 | 1-ALKOXY AND 1-ACYLOXY SUBSTITUTED CYCLOHEX-1-ENE COMPOUNDS AND SULFUR AND 1-ALKOXYCARBONYL ANALOGS HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 2000-11-16 | — | — | WO | disclosed |
| WO-2000068191-A1 | OXYGEN, SULFUR AND NITROGEN SUBSTITUTED CYCLOHEXENE AND CYCLOHEXANE DERIVATIVES HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN SALES, INC. (US) | 2000-11-16 | — | — | WO | disclosed |
| EP-0398427-B1 | Antirhinoviral pyridazinamines | JANSSEN PHARMACEUTICA NV (BE) | 1994-03-16 | — | — | EP | disclosed |
| US-5112825-A | Antirhinoviral heteroamine-substituted pyridazines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-05-12 | — | — | US | disclosed |
| EP-0398427-A1 | Antirhinoviral pyridazinamines | JANSSEN PHARMACEUTICA N.V. (BE) | 1990-11-22 | — | — | EP | disclosed |