Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 5/20 | 0.42 |
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7071352 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HPGDTDP1POLBNPC1 | |
| Hydrochloric Acid SCHEMBL7232683 | 0.99 | ALDH1A1 (0.53) | ALDH1A1HPGDTDP1POLBNPC1 | |
| Hydrochloric Acid SCHEMBL7073092 | 0.99 | ALDH1A1 (0.53) | ALDH1A1HPGDTDP1POLBNPC1 | |
| Hydrochloric Acid SCHEMBL7077941 | 0.99 | ALDH1A1 (0.53) | ALDH1A1HPGDTDP1POLBNPC1 | |
| SCHEMBL7223510 | 0.84 | NPC1 (0.52) | ALDH1A1TDP1POLBNPC1RAB9A | |
| SCHEMBL7223199 | 0.84 | HDAC6 (0.40) | ALDH1A1HPGDNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7224677 | 0.84 | MEN1 (0.43) | RAB9ASMN1; SMN2MEN1KMT2AGAA | |
| Hydrochloric Acid SCHEMBL7231904 | 0.83 | NPC1 (0.51) | ALDH1A1TDP1POLBNPC1RAB9A | |
| Hydrochloric Acid SCHEMBL7233032 | 0.83 | F10 (0.43) | RAB9ASMN1; SMN2MEN1KMT2AGAA | |
| SCHEMBL7226147 | 0.81 | SLC6A3 (0.39) | — |
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 |