Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6202390 | 0.83 | ALDH1A1 (0.49) | ALDH1A1POLBTDP1MAPK1MAPT | |
| SCHEMBL23728270 | 0.83 | CYP2C19 (0.59) | ALDH1A1POLBTDP1MAPK1MAPT | |
| SCHEMBL11796570 | 0.81 | TDP1 (0.44) | ALDH1A1POLBTDP1TSHRMAPT | |
| SCHEMBL1648359 | 0.78 | TDP1 (0.48) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL4993795 | 0.78 | CYP1A2 (0.51) | ALDH1A1POLBTDP1TSHRMAPK1 | |
| SCHEMBL1444112 | 0.78 | CYP2C19 (0.46) | ALDH1A1TSHRMAPTNPC1RAB9A | |
| SCHEMBL167044 | 0.77 | CYP2C19 (0.64) | MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL2295046 | 0.77 | CYP2C19 (0.64) | MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL2300536 | 0.77 | CYP2C19 (0.64) | MAPK1MAPTSMN1; SMN2 | |
| SCHEMBL4077302 | 0.77 | ALDH1A1 (0.47) | ALDH1A1POLBTDP1MAPK1MAPT |
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 |