Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 5/20 | 0.67 |
| ▸ | NPC1 | O15118 | 4/20 | 0.61 |
| ▸ | RAB9A | P51151 | 4/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.54 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL10936011 | 0.86 | IDO1 (0.55) | IDO1NPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL6323640 | 0.84 | IDO1 (0.53) | IDO1NPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL11609705 | 0.84 | IDO1 (0.56) | IDO1NPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL26963101 | 0.81 | IDO1 (0.65) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL6319495 | 0.81 | IDO1 (0.51) | IDO1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL11607091 | 0.81 | IDO1 (0.52) | IDO1NPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL7191501 | 0.80 | IDO1 (0.59) | IDO1NPC1RAB9ASMN1; SMN2CA12 | |
| SCHEMBL23878395 | 0.80 | IDO1 (0.62) | IDO1CA12CA1CA2CA9 | |
| Ammonia Solution, Strong SCHEMBL23878421 | 0.80 | IDO1 (0.62) | IDO1CA12CA1CA2CA9 | |
| SCHEMBL23878394 | 0.80 | IDO1 (0.62) | IDO1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | disclosed |