Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.40 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL26640741 | 0.83 | ALDH1A1 (0.48) | ALDH1A1HTTGAAKMT2AGLA | |
| SCHEMBL10733600 | 0.83 | KAT2B (0.58) | ALDH1A1HTTGAAGLA | |
| SCHEMBL6984685 | 0.78 | ALDH1A1 (0.57) | ALDH1A1HTTGAATDP1TSHR | |
| SCHEMBL9111473 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HTTGAATDP1KMT2A | |
| SCHEMBL9111477 | 0.77 | ALDH1A1 (0.57) | ALDH1A1HTTGAATDP1KMT2A | |
| SCHEMBL6794700 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HTTGAATDP1KMT2A | |
| SCHEMBL16244085 | 0.76 | ALDH1A1 (0.56) | ALDH1A1HTTGAATDP1TSHR | |
| SCHEMBL4820842 | 0.76 | MEN1 (0.65) | ALDH1A1HTTGAATDP1KMT2A | |
| SCHEMBL26640903 | 0.76 | LMNA (0.49) | ALDH1A1HTTGAATDP1KMT2A | |
| SCHEMBL30648781 | 0.76 | LMNA (0.49) | ALDH1A1HTTGAATDP1KMT2A |
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-2012002577-A1 | NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF | 富士フイルム株式会社 (JP) | 2012-01-05 | — | — | WO | disclosed |