Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.56 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA5A | P35218 | 1/20 | 0.55 |
| ▸ | CA7 | P43166 | 1/20 | 0.55 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | NCOR2 | Q9Y618 | 2/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL22275671 | 0.89 | TAAR1 (0.65) | TAAR1HPGDGAAEPHX1TRPV1 | |
| SCHEMBL10536452 | 0.84 | TAAR1 (0.72) | TAAR1HPGDGAAEPHX1MEN1 | |
| SCHEMBL4153733 | 0.84 | HPGD (0.79) | TAAR1HPGDGAATRPV1CA2 | |
| SCHEMBL5293773 | 0.84 | TAAR1 (0.68) | TAAR1HPGDGAAEPHX1TRPV1 | |
| SCHEMBL20932665 | 0.83 | TAAR1 (0.63) | TAAR1HPGDGAAEPHX1TRPV1 | |
| SCHEMBL28570819 | 0.81 | PTPN1 (0.74) | TAAR1HPGDEPHX1CA2CA1 | |
| Acetic Acid SCHEMBL10537361 | 0.81 | TAAR1 (0.64) | TAAR1HPGDGAAEPHX1CA2 | |
| SCHEMBL11186772 | 0.80 | HDAC3 (0.62) | TAAR1HPGDGAAEPHX1CA2 | |
| SCHEMBL22275668 | 0.79 | TAAR1 (0.54) | TAAR1HPGDGAACA2CA1 | |
| SCHEMBL22275899 | 0.78 | TRPV1 (0.70) | TAAR1HPGDGAATRPV1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4885313-A | 3,4-Dihydroxyphenylethylamine derivatives and their use | FISONS PLC (GB) | 1989-12-05 | — | — | US | disclosed |
| US-4803225-A | Dihydroxy-phenethylamino compounds useful as pharmaceuticals | FISONS, PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| US-4720586-A | Substituted 3,4-dihydroxy-phenylethylamino compounds | FISONS, PLC (GB) | 1988-01-19 | — | — | US | disclosed |