Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6640788 | 0.81 | MMP1 (0.40) | ALDH1A1HPGDKDM4EL3MBTL1SMN1; SMN2 | |
| SCHEMBL5667835 | 0.78 | SMN1; SMN2 (0.42) | AKR1B1ALDH1A1HPGDPOLBKDM4E | |
| SCHEMBL16708451 | 0.77 | SMN1; SMN2 (0.44) | AKR1B1ALDH1A1HPGDPOLBKDM4E | |
| SCHEMBL5168366 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDL3MBTL1MAPTKMT2A | |
| SCHEMBL839677 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDL3MBTL1MAPTKMT2A | |
| SCHEMBL5169494 | 0.75 | ALDH1A1 (0.53) | ALDH1A1HPGDL3MBTL1MAPTKMT2A | |
| SCHEMBL7924569 | 0.75 | KMT2A (0.49) | ALDH1A1HPGDL3MBTL1KMT2AHTT | |
| SCHEMBL19055337 | 0.74 | SMN1; SMN2 (0.42) | AKR1B1ALDH1A1HPGDPOLBKDM4E | |
| SCHEMBL28656889 | 0.74 | ALDH1A1 (0.52) | ALDH1A1HPGDL3MBTL1MAPTKMT2A | |
| SCHEMBL19055367 | 0.73 | SMN1; SMN2 (0.41) | AKR1B1ALDH1A1HPGDPOLBKDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1015433-B1 | SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA (DE) | 2004-05-26 | — | — | EP | disclosed |
| US-6455538-B1 | SODIUM CHANNEL MODULATORS; BRAIN AND NERVOUS SYSTEM DISORDERS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-09-24 | — | — | US | disclosed |
| EP-1015433-A1 | SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | Boehringer Ingelheim Pharma KG (DE) | 2000-07-05 | — | — | EP | disclosed |
| WO-1999014199-A1 | SUBSTITUTED 1,2,3,4,5,6-HEXAHYDRO-2,6-METHANO-3-BENZAZOCINE-10-OLES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-03-25 | — | — | WO | disclosed |