Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CTSL | P07711 | 2/20 | 0.38 |
| ▸ | CTSB | P07858 | 2/20 | 0.38 |
| ▸ | CTSS | P25774 | 2/20 | 0.38 |
| ▸ | CTSK | P43235 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7841102 | 1.00 | ALDH1A1 (0.46) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL9089272 | 0.85 | TDP1 (0.51) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL8473232 | 0.85 | TDP1 (0.51) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7837333 | 0.76 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL8556604 | 0.76 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7837330 | 0.76 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL7848776 | 0.76 | TDP1 (0.58) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL11209614 | 0.70 | ALDH1A1 (0.54) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL10431148 | 0.70 | TDP1 (0.54) | ALDH1A1GAATDP1POLBL3MBTL1 | |
| SCHEMBL10431147 | 0.70 | TDP1 (0.54) | ALDH1A1GAATDP1POLBL3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5512682-A | Nitrile compounds useful as intermediates in the production of beta amino alcohols | HOFFMANN-LA ROCHE INC. (US) | 1996-04-30 | — | — | US | claimed |
| EP-0635493-A2 | Process for the preparationof a beta-aminoalcohol | F. HOFFMANN-LA ROCHE AG (CH) | 1995-01-25 | — | — | EP | claimed |