Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 7/20 | 0.77 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.77 |
| ▸ | CA1 | P00915 | 1/20 | 0.77 |
| ▸ | CA2 | P00918 | 1/20 | 0.77 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.77 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.77 |
| ▸ | ITGAL | P20701 | 1/20 | 0.77 |
| ▸ | CA4 | P22748 | 1/20 | 0.77 |
| ▸ | CA6 | P23280 | 1/20 | 0.77 |
| ▸ | ADK | P55263 | 1/20 | 0.77 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.42 |
| ▸ | WNT3A | P56704 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | CMA1 | P23946 | 1/20 | 0.39 |
| ▸ | F7 | P08709 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | F3 | P13726 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Indole SCHEMBL28120363 | 0.98 | AHR (0.81) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL1830474 | 0.98 | AHR (0.81) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2473213 | 0.98 | AHR (0.81) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL2945202 | 0.91 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL30877947 | 0.91 | AHR (0.94) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL28008314 | 0.90 | AHR (0.68) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL9420911 | 0.89 | TRPA1 (0.61) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL6386255 | 0.88 | AHR (0.90) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL1160186 | 0.88 | AHR (1.00) | AHRTRPA1CA1CA2ITGB2 | |
| Indole SCHEMBL30250492 | 0.88 | — | — |
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-102952118-B | Poly-(ADP-ribose) AG14361, preparation method and its usage | SHANGHAI DE NOVO PHARMATECH CO LTD. (CN) | 2016-03-23 | — | — | CN | claimed |
| CN-102952118-A | Poly(ADP-ribose)polymerase inhibitor, preparation method and application thereof | SHANGHAI DINUO MEDICAL TECHNOLOGY CO LTD | 2013-03-06 | — | — | CN | claimed |