Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7604066 | 0.82 | SIGMAR1 (0.40) | ALDH1A1KMT2ASIGMAR1CA12CA9 | |
| SCHEMBL7610066 | 0.76 | MAOA (0.41) | PDK2ALDH1A1KMT2AKDM4EHPGD | |
| SCHEMBL7629290 | 0.72 | OPRD1 (0.34) | ALDH1A1HIF1AEPAS1ABL1HSD17B10 | |
| SCHEMBL7603353 | 0.72 | NPC1 (0.46) | PARP10HPGD | |
| SCHEMBL30659806 | 0.71 | AKR1B1 (0.33) | HIF1AEPAS1 | |
| SCHEMBL30218170 | 0.70 | ALDH1A1 (0.40) | PDK2ALDH1A1KMT2APARP10BRD4 | |
| SCHEMBL30218032 | 0.70 | ALDH1A1 (0.40) | ALDH1A1KMT2APARP10BRD4BRPF1 | |
| SCHEMBL8170079 | 0.70 | HIF1A (0.33) | HIF1AEPAS1 | |
| SCHEMBL10828062 | 0.67 | TLK2 (0.38) | PDK2ALDH1A1KMT2APARP10BRD4 | |
| SCHEMBL4369386 | 0.66 | HIF1A (0.33) | HIF1AEPAS1KDM4EGAA |
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-1265848-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | Allergan Sales, Inc. (US) | 2002-12-18 | — | — | EP | disclosed |
| WO-2001070668-A2 | AMINES SUBSTITUTED WITH A DIHYDRONAPHTHALENYL, CRHOMENYL, OR THIOCHROMENYL GROUP, AN ARYL OR HETEROARYL GROUP AND AN ALKYL GROUP, HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 2001-09-27 | — | — | WO | disclosed |