Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 5/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL776996 | 0.98 | IDO1 (0.48) | IDO1CA2LMNAALDH1A1KMT2A | |
| SCHEMBL3877835 | 0.85 | CA2 (0.44) | IDO1CA2LMNAALDH1A1KMT2A | |
| Ammonia Solution, Strong SCHEMBL28583692 | 0.81 | CA2 (0.47) | IDO1CA2ALDH1A1KMT2APARP10 | |
| Ammonia Solution, Strong SCHEMBL28579480 | 0.81 | IDO1 (0.46) | IDO1CA2ALDH1A1MAOBNPC1 | |
| Ammonia Solution, Strong SCHEMBL28355591 | 0.81 | CA2 (0.44) | CA2ALDH1A1KMT2AMEN1MAOB | |
| SCHEMBL28164885 | 0.81 | CA2 (0.50) | IDO1CA2KMT2AMEN1CYP2D6 | |
| SCHEMBL29630193 | 0.80 | IDO1 (0.55) | IDO1LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL778097 | 0.80 | IDO1 (0.55) | IDO1LMNAALDH1A1KMT2AMEN1 | |
| SCHEMBL5679281 | 0.79 | CA2 (0.45) | CA2ALDH1A1KMT2AMEN1MAOB | |
| SCHEMBL21645319 | 0.79 | IDO1 (0.56) | IDO1CA2ALDH1A1KMT2AMAOB |
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-112174862-B | Synthesis method of benzyl sulfide | 成都理工大学 | 2022-07-12 | — | — | CN | claimed |
| CN-112321469-B | Synthetic method of dibenzyl sulfide | 成都理工大学 | 2022-07-12 | — | — | CN | claimed |
| CN-110683975-B | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2021-04-09 | — | — | CN | disclosed |
| CN-112321469-A | Synthetic method of dibenzyl sulfide | 成都理工大学 | 2021-02-05 | — | — | CN | disclosed |
| CN-110683975-A | Synthesis method of dialkyl amino alkyl dithioformate | 成都理工大学 | 2020-01-14 | — | — | CN | disclosed |