Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.39 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7222621 | 0.87 | HDAC1 (0.46) | HDAC1HDAC6HSD17B1HSD17B2USP30 | |
| SCHEMBL7235102 | 0.87 | USP30 (0.52) | HDAC1HDAC6USP30DGAT1 | |
| SCHEMBL7233293 | 0.86 | USP30 (0.43) | HDAC1HDAC6USP30CHEK1DGAT1 | |
| SCHEMBL7225108 | 0.86 | USP30 (0.43) | HDAC1HDAC6HSD17B1HSD17B2USP30 | |
| SCHEMBL7224140 | 0.85 | HDAC1 (0.47) | HDAC1HDAC6USP30NPC1RAB9A | |
| SCHEMBL7231008 | 0.85 | USP30 (0.43) | HDAC1HDAC6USP30KMT2ADGAT1 | |
| SCHEMBL7225968 | 0.85 | USP30 (0.43) | USP30CHEK1DGAT1 | |
| SCHEMBL7232332 | 0.85 | SLC6A2 (0.40) | SMN1; SMN2 | |
| SCHEMBL7232229 | 0.85 | HDAC6 (0.50) | HDAC6HSD17B1HSD17B2NPC1ALDH1A1 | |
| SCHEMBL7233563 | 0.84 | HCRTR1 (0.40) | NPC1RAB9AKMT2AALDH1A1TP53 |
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-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |