Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6912519 | 1.00 | NPC1 (0.46) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL6914644 | 1.00 | NPC1 (0.46) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL7549612 | 0.85 | NPC1 (0.44) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL6632235 | 0.82 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL6628038 | 0.82 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL5475208 | 0.82 | ALDH1A1 (0.50) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL3367528 | 0.79 | TAAR1 (0.50) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL6915548 | 0.79 | SLC6A2 (0.50) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL272368 | 0.79 | TDP1 (0.48) | NPC1RAB9AALDH1A1ALOX12TDP1 | |
| SCHEMBL251220 | 0.79 | TDP1 (0.48) | NPC1RAB9AALDH1A1ALOX12TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6818423-B2 | LOW-MOLECULAR-WEIGHT C4-C6-KETONES DERIVATIZED WITH REMOVABLE GROUP ARE REACTED WITH CYANIDE GROUP DONOR IN PRESENCE OF HYDROXYNITRILE LYASE OR BY RACEMIC REACTION, ACIDIC HYDROLYSIS, OPTIONALLY RESOLUTION, AND CLEAVAGE OF THE GROUP | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AU) | 2004-11-16 | — | — | US | disclosed |
| US-20030092142-A1 | Process for the preparation of chiral alpha-hydroxycarboxylic acids | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-05-15 | — | — | US | disclosed |