Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.75 |
| ▸ | HPGD | P15428 | 2/20 | 0.75 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.75 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.52 |
| ▸ | MAOB | P27338 | 2/20 | 0.52 |
| ▸ | GRIN2D | O15399 | 6/20 | 0.51 |
| ▸ | GRIN3B | O60391 | 6/20 | 0.51 |
| ▸ | GRIN1 | Q05586 | 6/20 | 0.51 |
| ▸ | GRIN2A | Q12879 | 6/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 6/20 | 0.51 |
| ▸ | GRIN2C | Q14957 | 6/20 | 0.51 |
| ▸ | GRIN3A | Q8TCU5 | 6/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.50 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.50 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | EED | O75530 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL30101840 | 1.00 | ALDH1A1 (0.75) | ALDH1A1HPGDSMN1; SMN2TAAR1MAOA | |
| SCHEMBL10536076 | 0.81 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2TAAR1MAOA | |
| SCHEMBL11423133 | 0.79 | MAPT (0.58) | ALDH1A1HPGDSMN1; SMN2MAOAMAOB | |
| SCHEMBL23043587 | 0.78 | GRIN2D (0.59) | MAOAMAOBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL29979114 | 0.78 | GRIN2D (0.59) | MAOAMAOBGRIN2DGRIN3BGRIN1 | |
| SCHEMBL9831929 | 0.78 | ALDH1A1 (0.53) | ALDH1A1HPGDSMN1; SMN2TAAR1ADRA1D | |
| SCHEMBL6772410 | 0.77 | GRIN2D (0.60) | ALDH1A1HPGDSMN1; SMN2GRIN2DGRIN3B | |
| SCHEMBL4291189 | 0.75 | ADRB1 (0.72) | ALDH1A1HPGDSMN1; SMN2ADRA1DADRA1A | |
| SCHEMBL29978097 | 0.75 | MAPT (0.52) | ALDH1A1MAOAMAOBGRIN2DGRIN3B | |
| SCHEMBL29923575 | 0.75 | CYP1A2 (0.53) | ALDH1A1HPGDSMN1; SMN2TAAR1MAOA |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111285804-B | Method for synthesizing thioamide compound | 广州中医药大学(广州中医药研究院) | 2022-01-07 | — | — | CN | claimed |
| CN-111285804-A | Method for synthesizing thioamide compound | 广州中医药大学(广州中医药研究院) | 2020-06-16 | — | — | CN | claimed |
| CN-113264881-B | Synthetic method of alpha-cyanide | 南昌大学 | 2022-12-02 | — | — | CN | disclosed |
| CN-111285804-B | Method for synthesizing thioamide compound | 广州中医药大学(广州中医药研究院) | 2022-01-07 | — | — | CN | disclosed |
| CN-113264881-A | Synthetic method of alpha-cyanide | 南昌大学 | 2021-08-17 | — | — | CN | disclosed |
| EP-3414216-B1 | ARYLATION OF ALIPHATIC AMINES | AAA CHEMISTRY APS (DK) | 2020-10-21 | — | — | EP | disclosed |
| CN-111285804-A | Method for synthesizing thioamide compound | 广州中医药大学(广州中医药研究院) | 2020-06-16 | — | — | CN | disclosed |