Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 3/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | F10 | P00742 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL247987 | 0.82 | CACNA1B (0.57) | NPC1RAB9AALDH1A1L3MBTL1POLB | |
| SCHEMBL20657015 | 0.81 | HDAC1 (0.46) | NPC1RAB9AALDH1A1GLAATM | |
| SCHEMBL2107514 | 0.80 | HDAC1 (0.65) | NPC1RAB9AALDH1A1GLAATM | |
| SCHEMBL2107774 | 0.78 | HDAC1 (0.61) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL2108610 | 0.78 | HDAC1 (0.63) | NPC1RAB9AALDH1A1GLAATM | |
| Bicarbonate SCHEMBL2109328 | 0.77 | HDAC1 (0.60) | HDAC1HDAC2HDAC3NCOR2 | |
| SCHEMBL14932024 | 0.76 | P2RY14 (0.47) | HDAC1HDAC2HDAC3 | |
| SCHEMBL2686342 | 0.75 | KMT2A (0.54) | NPC1RAB9AALDH1A1SNCAPOLB | |
| SCHEMBL2732773 | 0.74 | HPGD (0.70) | NPC1RAB9AALDH1A1ATML3MBTL1 | |
| SCHEMBL4187038 | 0.74 | RAB9A (0.39) | NPC1RAB9AALDH1A1GLAATM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8158825-B2 | Modified malonate derivatives | MERCK SHARP & DOHME CORP. (US) | 2012-04-17 | — | — | US | disclosed |