Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3129229 | 0.81 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD | |
| Succinic Acid SCHEMBL7823343 | 0.81 | APEX1 (0.44) | ALDH1A1GAACA12CA9TDP1 | |
| Dodecanoate SCHEMBL7826770 | 0.73 | GPR84 (0.41) | ALDH1A1CES2CES1MEN1KMT2A | |
| SCHEMBL7829810 | 0.70 | TP53 (0.33) | ALDH1A1MEN1KMT2ATDP1L3MBTL1 | |
| 4-Methylbenzoic Acid SCHEMBL14723409 | 0.69 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL7940172 | 0.69 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| 4-Methylbenzoic Acid SCHEMBL27936299 | 0.69 | ALDH1A1 (0.94) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Benzoic Acid SCHEMBL3897333 | 0.67 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL28195120 | 0.67 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 | |
| Terephthalic Acid SCHEMBL7744567 | 0.67 | ALDH1A1 (0.80) | ALDH1A1SMN1; SMN2SRD5A2CES2CES1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-8225753-A | — | — | None | — | — | JP | disclosed |
| JP-H08225753-A | CARBOXYLATE SALT, ITS PRODUCTION AND HEAT-SENSITIVE RECORDING MATERIAL USING THE SALT COMPOUND | MITSUI TOATSU CHEM INC | 1996-09-03 | — | — | JP | disclosed |