Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.38 |
| ▸ | REN | P00797 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7146561 | 0.88 | HTT (0.50) | CYP2D6HTTALDH1A1LMNATP53 | |
| SCHEMBL7594393 | 0.88 | CYP26A1 (0.43) | CYP2D6MEN1POLBKMT2ACTSS | |
| SCHEMBL5221967 | 0.88 | MEN1 (0.41) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL7227254 | 0.88 | CTSS (0.44) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL24440108 | 0.88 | MEN1 (0.41) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL24440386 | 0.88 | PPARG (0.43) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL13118106 | 0.88 | CTSS (0.44) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL7334591 | 0.88 | CTSS (0.44) | CYP2D6MEN1POLBKMT2AMAPT | |
| SCHEMBL7106753 | 0.88 | CYP26A1 (0.43) | CYP2D6MEN1POLBKMT2ACTSS | |
| SCHEMBL7106752 | 0.88 | CYP26A1 (0.43) | CYP2D6MEN1POLBKMT2ACTSS |
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-6953798-B1 | β-alanine derivates | CELLTECH R&D LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |