Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 3/20 | 0.46 |
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Benzoyl Chloride SCHEMBL8167191 | 0.84 | CES2 (0.45) | ALDH1A1LMNACES2CES1SRD5A2 | |
| Hydrochloric Acid SCHEMBL8179487 | 0.84 | CES2 (0.47) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9203545 | 0.84 | ESR1 (0.48) | LMNASRD5A2SMN1; SMN2PKMHTT | |
| SCHEMBL9247156 | 0.84 | SRD5A2 (0.50) | ALDH1A1SRD5A2SMN1; SMN2TDP1HPGD | |
| SCHEMBL8167107 | 0.82 | CES2 (0.45) | ALDH1A1LMNACES2CES1SRD5A2 | |
| SCHEMBL9498504 | 0.82 | CES2 (0.45) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL418096 | 0.82 | POLB (0.53) | ALDH1A1CES2CES1SMN1; SMN2TDP1 | |
| Hydrochloric Acid SCHEMBL8166435 | 0.81 | HPGD (0.46) | ALDH1A1SRD5A2SMN1; SMN2ATMHPGD | |
| Toluene SCHEMBL8174760 | 0.80 | MAPT (0.40) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL668628 | 0.80 | ABCB1 (0.46) | HTTHPGD |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1125719-A | 2-tertiary butyl-1-aroyl-4-substituted thiosemicarbazide compound and its synthesis and application | HUADONG UNIV OF SCI & ENGRG (CN) | 1996-07-03 | — | — | CN | disclosed |
| EP-0361645-B1 | ORGANIC HYDRAZINE DERIVATIVES FOR PHARMACEUTICAL USE | ROHM AND HAAS COMPANY (US) | 1993-09-29 | — | — | EP | disclosed |
| EP-0261755-B1 | FIVE-MEMBERED HETEROCYCLIC DERIVATIVES OF N'-SUBSTITUTED-N,N'-DIACYLHYDRAZINES | ROHM AND HAAS COMPANY (US) | 1992-12-16 | — | — | EP | disclosed |
| EP-0253468-B1 | SIX-MEMBERED HETEROCYCLIC DERIVATIVES OF N'SUBSTITUTED-N,N'-DIACYLHYDRAZINES | ROHM AND HAAS COMPANY (US) | 1991-11-06 | — | — | EP | disclosed |
| EP-0361645-A2 | Organic hydrazine derivatives for pharmaceutical use | ROHM AND HAAS COMPANY (US) | 1990-04-04 | — | — | EP | disclosed |