Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA12 | O43570 | 3/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP9 | P14780 | 1/20 | 0.52 |
| ▸ | MMP8 | P22894 | 1/20 | 0.52 |
| ▸ | MMP13 | P45452 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL813026 | 0.89 | CA2 (0.68) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL10133065 | 0.84 | CA2 (0.62) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL2112943 | 0.83 | CA2 (0.65) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL13895359 | 0.83 | KMT2A (0.49) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL10494718 | 0.82 | CA2 (0.56) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL15055120 | 0.82 | CA2 (0.55) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL15271117 | 0.82 | CA2 (0.55) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL31201808 | 0.82 | CA2 (0.56) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL30361414 | 0.82 | CA2 (0.56) | CA2CA12CA7CA14ALDH1A1 | |
| SCHEMBL18424863 | 0.81 | CA1 (0.60) | CA2CA1OPRK1HTTHPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-7514468-B2 | Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2009-04-07 | — | — | US | disclosed |