Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | METAP2 | P50579 | 1/20 | 0.42 |
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.38 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27443178 | 0.80 | CYP1A2 (0.40) | ACHEALDH1A1TSHRNOTUM | |
| SCHEMBL31471473 | 0.79 | ACHE (0.69) | ACHEIDO1METAP2NISCHRAB9A | |
| SCHEMBL301247 | 0.79 | ACHE (0.69) | ACHEIDO1METAP2NISCHRAB9A | |
| SCHEMBL29373699 | 0.79 | ACHE (0.69) | ACHEIDO1METAP2NISCHRAB9A | |
| Methyl Alcohol SCHEMBL8664080 | 0.78 | CYP3A4 (0.46) | IDO1RAB9AALDH1A1KMT2ANPC1 | |
| Hydrochloric Acid SCHEMBL5679694 | 0.77 | CYP1A2 (0.44) | IDO1ALDH1A1NOTUM | |
| SCHEMBL30935373 | 0.77 | CYP1A2 (0.44) | IDO1ALDH1A1NOTUM | |
| SCHEMBL18797759 | 0.77 | ACHE (0.65) | ACHEIDO1METAP2NISCHRAB9A | |
| SCHEMBL19577801 | 0.77 | ACHE (0.65) | ACHEIDO1METAP2NISCHRAB9A | |
| M-Xylene SCHEMBL1420036 | 0.76 | ACHE (0.57) | ACHEALDH1A1NPC1HPGDTSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109912487-B | Method for synthesizing 1-p-toluenesulfonyl-2-vinyl-1H-pyrrole | 山东理工大学 | 2023-01-10 | — | — | CN | disclosed |