Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 4/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | IKBKB | O14920 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.39 |
| ▸ | TNF | P01375 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.35 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.35 |
| ▸ | ITGAL | P20701 | 1/20 | 0.35 |
| ▸ | CA4 | P22748 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28889115 | 0.76 | GPR84 (0.45) | AHRMAOAMAOBIKBKBPARP1 | |
| SCHEMBL28621811 | 0.76 | TRPM4 (0.52) | AHRMAOAMAOBALDH1A1IKBKB | |
| SCHEMBL6604980 | 0.75 | CCR1 (0.51) | AHRALDH1A1IKBKBCYP1A2NR4A2 | |
| SCHEMBL15646558 | 0.72 | TNF (0.50) | AHRMAOAMAOBIKBKBCHUK | |
| SCHEMBL19683290 | 0.72 | PARP1 (0.44) | AHRMAOAMAOBALDH1A1CYP1A2 | |
| SCHEMBL29532306 | 0.70 | MAOA (0.42) | AHRMAOAMAOBALDH1A1CYP1A2 | |
| SCHEMBL2822133 | 0.70 | MAOA (0.42) | AHRMAOAMAOBALDH1A1CYP1A2 | |
| SCHEMBL305400 | 0.70 | PARP1 (0.56) | AHRMAOAMAOBALDH1A1CYP2A6 | |
| SCHEMBL29379427 | 0.69 | HPRT1 (0.58) | AHRMAOAMAOBALDH1A1CYP2A6 | |
| SCHEMBL31300209 | 0.69 | HPRT1 (0.58) | AHRMAOAMAOBALDH1A1CYP2A6 |
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-115368292-A | Benzoindole compound and synthetic method thereof | 陕西科技大学 | 2022-11-22 | — | — | CN | disclosed |