Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.67 |
| ▸ | NPC1 | O15118 | 5/20 | 0.67 |
| ▸ | RAB9A | P51151 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.67 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.67 |
| ▸ | MAPT | P10636 | 3/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.53 |
| ▸ | PDE4A | P27815 | 3/20 | 0.52 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.52 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.52 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP3 | P08254 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674039 | 0.99 | ALDH1A1 (0.68) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6680199 | 0.93 | NPC1 (0.76) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6676805 | 0.88 | NPC1 (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6673825 | 0.85 | TSHR (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL7253269 | 0.85 | ALDH1A1 (0.65) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6674609 | 0.85 | RAB9A (0.55) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6677049 | 0.84 | TSHR (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL22014067 | 0.84 | TSHR (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL22014331 | 0.84 | TSHR (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 | |
| SCHEMBL6674938 | 0.83 | RAB9A (0.56) | ALDH1A1NPC1RAB9ASMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6639103-B1 | Enantiomerically enriched forms; resolving amino functiona-lized enantiomers | DSM N.V. (NL) | 2003-10-28 | — | — | US | disclosed |
| EP-1204636-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2002-05-15 | — | — | EP | disclosed |
| WO-2001014327-A1 | 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES | DSM N.V. (NL) | 2001-03-01 | — | — | WO | disclosed |