Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 7/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 4/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.42 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9337513 | 0.92 | CA1 (0.44) | CA1CA2HDAC1HDAC3HDAC2 | |
| SCHEMBL9865333 | 0.90 | CA1 (0.48) | CA1CA2HDAC1HDAC3HDAC2 | |
| SCHEMBL9337501 | 0.89 | HDAC1 (0.40) | CA1CA2HDAC1HDAC3HDAC2 | |
| SCHEMBL9335626 | 0.83 | HDAC1 (0.49) | HDAC1HDAC3HDAC2HDAC10HDAC8 | |
| SCHEMBL9335656 | 0.83 | HDAC1 (0.50) | HDAC1HDAC3HDAC2HDAC10HDAC8 | |
| SCHEMBL9866700 | 0.80 | ITGB3 (0.38) | HDAC1HDAC3HDAC2HDAC10HDAC8 | |
| SCHEMBL31245814 | 0.80 | GAA (0.53) | PKML3MBTL1LMNAALDH1A1SMN1; SMN2 | |
| SCHEMBL31245878 | 0.80 | PKM (0.54) | PKML3MBTL1LMNAALDH1A1SMN1; SMN2 | |
| Formic Acid SCHEMBL9339472 | 0.79 | HDAC1 (0.47) | HDAC1HDAC3HDAC2HDAC10HDAC8 | |
| SCHEMBL31245921 | 0.79 | CA1 (0.58) | CA1CA2HDAC1HDAC3HDAC2 |
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-5039805-A | Novel benzoic and phenylacetic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-08-13 | — | — | US | disclosed |
| EP-0372486-A2 | Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines | F. HOFFMANN-LA ROCHE AG (CH) | 1990-06-13 | — | — | EP | disclosed |