Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | CES1 | P23141 | 3/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2171281 | 1.00 | CA12 (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL9567244 | 0.78 | CES1 (0.54) | CA12CA1CA2CA3CA4 | |
| SCHEMBL4828708 | 0.78 | ALDH1A1 (0.41) | CA12CA1CA2CA3CA4 | |
| SCHEMBL10530602 | 0.77 | CA12 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL3948673 | 0.77 | CA12 (0.44) | CA12CA1CA2CA3CA4 | |
| SCHEMBL6425193 | 0.73 | CA12 (0.42) | CA12CA1CA2CA3CA4 | |
| SCHEMBL28361421 | 0.72 | ALDH1A1 (0.48) | CA12CA1CA2CA3CA4 | |
| SCHEMBL28178715 | 0.72 | MAPT (0.48) | ALDH1A1TSHRCES2CES1DAO | |
| SCHEMBL28434762 | 0.71 | CA12 (0.48) | CA12CA1CA2CA3CA4 | |
| Benzil SCHEMBL1219855 | 0.70 | CES2 (0.74) | CA12CA1CA2CA3CA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009073147-A2 | PROCESS FOR PREPARING BIS(THIOHYDRAZIDE AMIDES) | SYNTA PHARMACEUTICALS CORP. (US) | 2009-06-11 | — | — | WO | disclosed |