Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA3 | P07451 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA6 | P23280 | 1/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.30 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.30 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11498154 | 0.78 | CYP2C19 (0.53) | CYP2C19 | |
| SCHEMBL3260650 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29166054 | 0.75 | CYP2C19 (0.50) | CYP2C19 | |
| SCHEMBL9613685 | 0.75 | CA12 (0.48) | CA12CA2CA3CA4CA6 | |
| SCHEMBL14385366 | 0.75 | CA12 (0.55) | CA12CA2CA3CA4CA6 | |
| SCHEMBL36759 | 0.74 | CA12 (1.00) | CA12CA2CA3CA4CA6 | |
| SCHEMBL17835466 | 0.74 | CA12 (1.00) | CA12CA2CA3CA4CA6 | |
| SCHEMBL21631277 | 0.74 | CA12 (1.00) | CA12CA2CA3CA4CA6 | |
| SCHEMBL11808088 | 0.74 | CA12 (1.00) | CA12CA2CA3CA4CA6 | |
| SCHEMBL10456533 | 0.74 | CA12 (1.00) | CA12CA2CA3CA4CA6 |
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-5430190-A | Propoxylation and reductive alkylation of diethylenetriamine | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1995-07-04 | — | — | US | claimed |