Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 10/20 | 0.38 |
| ▸ | CTSS | P25774 | 7/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSB | P07858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28564200 | 0.84 | CTSK (0.42) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL14493059 | 0.79 | CYP2D6 (0.50) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL2499493 | 0.79 | CYP2D6 (0.50) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL6206893 | 0.79 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27593364 | 0.79 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL27668563 | 0.79 | CA1 (0.45) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL10978956 | 0.77 | CA1 (0.46) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL4520424 | 0.77 | CA1 (0.38) | CA1CA2CA7CYP2D6CTSK | |
| SCHEMBL12707986 | 0.77 | SERPINE1 (0.41) | CTSKCTSSCTSLCTSBKMT2A | |
| SCHEMBL1262397 | 0.77 | CA1 (0.38) | CA1CA2CA7CYP2D6CTSK |
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-5137884-A | Antibiotics | MERCK & CO., INC. (US) | 1992-08-11 | — | — | US | disclosed |