Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA9 | Q16790 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.44 |
| ▸ | CA7 | P43166 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CA4 | P22748 | 2/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL28037925 | 0.84 | RAB9A (0.50) | KDM4EMAPTMEN1KMT2ANPC1 | |
| Toluene SCHEMBL28986124 | 0.84 | MEN1 (0.50) | MAPTMEN1KMT2ANPC1SMN1; SMN2 | |
| Guaiacol SCHEMBL28010684 | 0.84 | TP53 (0.60) | CA1KDM4EMAPTMEN1KMT2A | |
| Benzene SCHEMBL27996687 | 0.83 | CYP2D6 (0.43) | KDM4EMEN1KMT2ANPC1SMN1; SMN2 | |
| Catechol SCHEMBL27336181 | 0.83 | CA1 (0.49) | CA1CA9KDM4EMAPTCA12 | |
| Aniline SCHEMBL27938403 | 0.81 | TSHR (0.48) | KDM4EMAPTMEN1KMT2ANPC1 | |
| SCHEMBL10011 | 0.78 | — | — | |
| Anisole SCHEMBL28011302 | 0.78 | CA4 (0.54) | MAPTMEN1KMT2ANPC1SMN1; SMN2 | |
| Catechol SCHEMBL28976242 | 0.78 | RAB9A (0.46) | CA1CA9KDM4EMAPTCA2 | |
| Catechol SCHEMBL8435548 | 0.77 | AKR1B1 (0.56) | CA1CA9KDM4EMAPTCA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104744456-A | Benzoquinolone inhibitors of VMAT2 | AUSPEX PHARMACEUTICAL INC | 2015-07-01 | — | — | CN | disclosed |