Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | POLB | P06746 | 1/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CA9 | Q16790 | 1/20 | 0.60 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MMP2 | P08253 | 1/20 | 0.54 |
| ▸ | MMP14 | P50281 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL7314984 | 0.84 | ALDH1A1 (0.58) | ALDH1A1POLBKMT2ANPC1RAB9A | |
| SCHEMBL1325326 | 0.82 | ALDH1A1 (0.66) | ALDH1A1POLBTP53KMT2ANPC1 | |
| SCHEMBL27291385 | 0.82 | ALDH1A1 (0.77) | ALDH1A1POLBHDAC3HDAC4HDAC1 | |
| SCHEMBL16070450 | 0.81 | CA1 (0.65) | POLBCA1CA2CA9TP53 | |
| SCHEMBL5806467 | 0.81 | HDAC3 (0.62) | ALDH1A1CA1CA2CA9TP53 | |
| SCHEMBL19992618 | 0.81 | POLB (0.68) | ALDH1A1POLBCA1CA2CA9 | |
| SCHEMBL1534196 | 0.81 | TP53 (0.64) | ALDH1A1POLBTP53KMT2ANPC1 | |
| SCHEMBL11573244 | 0.81 | ALDH1A1 (0.64) | ALDH1A1POLBTP53KMT2ANPC1 | |
| SCHEMBL7827734 | 0.81 | POLB (0.80) | ALDH1A1POLBCA1CA2CA9 | |
| SCHEMBL8278746 | 0.81 | TP53 (0.72) | ALDH1A1POLBCA1CA2CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4567198-A | Ethanethioates and mercaptoamides and use thereof as analgesic and enkephalinase inhibitory compounds | ROUSSEL UCLAF (FR) | 1986-01-28 | — | — | US | claimed |
| EP-0117183-A1 | Mercaptoacetic acid and 3-mercaptopropionic acid amide derivatives for use in treatment of a human or animal body, some new derivatives and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1984-08-29 | — | — | EP | claimed |
| US-4567198-A | Ethanethioates and mercaptoamides and use thereof as analgesic and enkephalinase inhibitory compounds | ROUSSEL UCLAF (FR) | 1986-01-28 | — | — | US | disclosed |
| EP-0117183-A1 | Mercaptoacetic acid and 3-mercaptopropionic acid amide derivatives for use in treatment of a human or animal body, some new derivatives and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1984-08-29 | — | — | EP | disclosed |