Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 5/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 5/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 5/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 5/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15823627 | 0.91 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL101223 | 0.88 | HDAC1 (0.51) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL101623 | 0.87 | HDAC2 (0.48) | ALDH1A1MAPTSMN1; SMN2HDAC1HDAC2 | |
| SCHEMBL98704 | 0.82 | AKR1C3 (0.51) | NPC1RAB9AMAPTSMN1; SMN2HDAC1 | |
| SCHEMBL15823604 | 0.81 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL99035 | 0.80 | HDAC1 (0.51) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL99412 | 0.80 | HCAR2 (0.47) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL15822177 | 0.79 | HDAC1 (0.47) | ALDH1A1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL100635 | 0.78 | MEN1 (0.48) | NPC1RAB9AHDAC1HDAC2HDAC3 | |
| SCHEMBL21314003 | 0.77 | CHRM3 (0.67) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2934594-B1 | CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . | ALMIRALL SA (ES) | 2019-09-04 | — | — | EP | disclosed |
| EP-2934594-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | Almirall, S.A. (ES) | 2015-10-28 | — | — | EP | disclosed |
| WO-2014095920-A1 | NEW CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITY | ALMIRALL, S.A. (ES) | 2014-06-26 | — | — | WO | disclosed |