Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | CA2 | P00918 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL31644745 | 0.85 | HDAC3 (0.52) | ALDH1A1TP53TSHRL3MBTL1HPGD | |
| SCHEMBL9865619 | 0.81 | HDAC3 (0.48) | ALDH1A1TP53TSHRL3MBTL1HPGD | |
| SCHEMBL19112536 | 0.81 | TP53 (0.59) | ALDH1A1TP53TSHRL3MBTL1HPGD | |
| SCHEMBL31758242 | 0.81 | CYP3A4 (0.49) | HDAC3HDAC1HDAC2HDAC8HDAC6 | |
| SCHEMBL9865785 | 0.81 | SELL (0.51) | ALDH1A1TP53TSHRL3MBTL1HPGD | |
| SCHEMBL539133 | 0.78 | KDM4E (0.51) | ALDH1A1L3MBTL1CA1CA2KDM4E | |
| SCHEMBL9865958 | 0.78 | CA1 (0.58) | ALDH1A1HPGDHDAC3HDAC1HDAC4 | |
| SCHEMBL9865135 | 0.77 | HTT (0.51) | ALDH1A1SMN1; SMN2HDAC3HDAC1HDAC8 | |
| SCHEMBL4278756 | 0.77 | CA12 (0.51) | ALDH1A1TSHRL3MBTL1SMN1; SMN2CA1 | |
| SCHEMBL9866767 | 0.76 | CA1 (0.53) | ALDH1A1TSHRL3MBTL1HPGDHDAC3 |
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-5039805-A | Novel benzoic and phenylacetic acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1991-08-13 | — | — | US | disclosed |