Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.50 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.50 |
| ▸ | ITGAL | P20701 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | FAAH | O00519 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.31 |
| ▸ | AXL | P30530 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL44842 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL28149608 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL28330748 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trimethylammonium SCHEMBL27814634 | 0.74 | LMNA (0.33) | ALDH1A1 | |
| Indole SCHEMBL28356644 | 0.74 | AHR (0.65) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL11402854 | 0.73 | AHR (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28419364 | 0.73 | AHR (0.94) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28180904 | 0.73 | AHR (0.94) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL345395 | 0.71 | AHR (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL21723436 | 0.71 | AHR (0.74) | TRPA1CA1CA2ITGB2ICAM1 |
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-105541804-A | Preparation method and application of indole formylamino-pyrazole derivatives | NANJING UNIVERSITY OF TECHNOLOGY | 2016-05-04 | — | — | CN | disclosed |
| CN-105541804-A | Preparation method and application of indole formylamino-pyrazole derivatives | NANJING UNIVERSITY OF TECHNOLOGY | 2016-05-04 | — | — | CN | disclosed |