Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | GLA | P06280 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.46 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2592564 | 0.87 | ALDH1A1 (0.53) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL24479565 | 0.86 | HCRTR1 (0.57) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL29405864 | 0.76 | HTR6 (0.64) | ALDH1A1KDM4EKMT2AHDAC6HDAC1 | |
| SCHEMBL6086669 | 0.76 | HTR6 (0.64) | ALDH1A1KDM4EKMT2AHDAC6HDAC1 | |
| SCHEMBL3038469 | 0.76 | MAPT (0.56) | RAB9AALDH1A1KDM4EHTTTP53 | |
| SCHEMBL6138108 | 0.73 | KMT2A (0.69) | ALDH1A1HSD17B10KDM4EGLAHPGD | |
| SCHEMBL12605550 | 0.73 | KMT2A (0.59) | ALDH1A1HSD17B10KDM4EHPGDTSHR | |
| SCHEMBL24480019 | 0.72 | ALDH1A1 (0.69) | NPC1RAB9AALDH1A1HSD17B10KDM4E | |
| SCHEMBL28499154 | 0.72 | ALDH1A1 (0.69) | NPC1RAB9AALDH1A1KMT2AHDAC6 | |
| SCHEMBL2593474 | 0.71 | KMT2A (0.65) | HSD17B10KMT2ALMNANTSR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011138265-A2 | INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | EVOTEC AG (DE) | 2011-11-10 | — | — | WO | claimed |
| WO-2011138265-A2 | INDOLE AND INDAZOLE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | EVOTEC AG (DE) | 2011-11-10 | — | — | WO | disclosed |