Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.54 |
| ▸ | HTT | P42858 | 5/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.51 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7590251 | 1.00 | ALDH1A1 (0.56) | ALDH1A1KDM4EUSP2SMN1; SMN2HTT | |
| SCHEMBL6726553 | 0.90 | NPC1 (0.64) | ALDH1A1HTTLMNAMAPTNPC1 | |
| SCHEMBL9683311 | 0.90 | NPC1 (0.64) | ALDH1A1HTTLMNAMAPTNPC1 | |
| Hydrochloric Acid SCHEMBL9324495 | 0.88 | MAPT (0.67) | ALDH1A1HTTLMNAMAPTNPC1 | |
| Hydrochloric Acid SCHEMBL10353456 | 0.86 | EGFR (0.58) | ALDH1A1SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL11439856 | 0.83 | EGFR (0.57) | ALDH1A1SMN1; SMN2HTTLMNAMAPT | |
| SCHEMBL9850638 | 0.81 | CHRM2 (0.51) | ALDH1A1KDM4ESMN1; SMN2HTTLMNA | |
| SCHEMBL4558930 | 0.81 | SMN1; SMN2 (0.56) | ALDH1A1KDM4EUSP2SMN1; SMN2HTT | |
| SCHEMBL9850647 | 0.79 | EGFR (0.50) | ALDH1A1KDM4ESMN1; SMN2HTTLMNA | |
| SCHEMBL9859087 | 0.79 | EGFR (0.50) | ALDH1A1SMN1; SMN2HTTLMNAMAPT |
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-0864559-B1 | Substituted amino compounds and their use as analgesic active substances | GRUENENTHAL GMBH (DE) | 2002-06-05 | — | — | EP | disclosed |
| US-6022895-A | Substituted amino compounds and their use as substances having an analgesic effect | GRUENENTHAL GMBH (DE) | 2000-02-08 | — | — | US | disclosed |
| EP-0864559-A1 | Substituted amino compounds and their use as analgesic active substances | Grünenthal GmbH (DE) | 1998-09-16 | — | — | EP | disclosed |