Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | CA2 | P00918 | 3/20 | 0.39 |
| ▸ | CA7 | P43166 | 3/20 | 0.39 |
| ▸ | CA9 | Q16790 | 3/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.36 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL21633299 | 0.63 | CYP1A2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10886338 | 0.62 | ALDH1A1 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL22756059 | 0.62 | KDM4E (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL11777448 | 0.62 | ALDH1A1 (0.43) | CYP1A2TSHRALDH1A1HPGDHTT | |
| SCHEMBL10479560 | 0.61 | CYP1A2 (0.38) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10756252 | 0.60 | CYP1A2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6623726 | 0.60 | CYP1A2 (0.43) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16302043 | 0.59 | TSHR (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4625850 | 0.59 | TSHR (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13406205 | 0.59 | KDM4E (0.50) | CA12CA1CA2CA7CA9 |
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 |
|---|---|---|---|---|---|---|---|
| US-4851425-A | Cyclopentapyrazole and tetrahydroindazole compounds and their use as anti-inflammatory and anti-allergic agents | THE UPJOHN COMPANY (US) | 1989-07-25 | — | — | US | disclosed |
| WO-1986007357-A3 | CYCLOPENTAPYRAZOLE AND TETRAHYDROINDAZOLE COMPOUNDS | THE UPJOHN COMPANY (US) | 1987-04-23 | — | — | WO | disclosed |