Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | MLYCD | O95822 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 3/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.34 |
| ▸ | LIPC | P11150 | 1/20 | 0.33 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.33 |
| ▸ | DPP7 | Q9UHL4 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1960773 | 0.82 | — | — | |
| Trifluoroacetic Acid SCHEMBL21813736 | 0.81 | CYP2D6 (0.52) | TDP1CYP2D6HDAC6HDAC4HDAC3 | |
| Trifluoroacetic Acid SCHEMBL5348233 | 0.79 | TDP1 (0.42) | TDP1HDAC6MLYCDDPP8DPP7 | |
| Trifluoroacetic Acid SCHEMBL1998431 | 0.79 | TDP1 (0.47) | TDP1CYP2D6HDAC6HDAC4HDAC3 | |
| SCHEMBL5127504 | 0.77 | TDP1 (0.50) | TDP1CYP2D6EPHX1ALDH1A1 | |
| SCHEMBL8391864 | 0.74 | TDP1 (0.48) | TDP1CYP2D6HDAC6HDAC4HDAC3 | |
| SCHEMBL3899220 | 0.74 | TDP1 (0.46) | TDP1CYP2D6F2PRSS1EPHX1 | |
| SCHEMBL14416204 | 0.73 | ACACB (0.49) | TDP1EPHX1 | |
| SCHEMBL9431190 | 0.72 | TDP1 (0.52) | TDP1HDAC6HDAC4HDAC3HDAC1 | |
| SCHEMBL2282942 | 0.72 | EPHX1 (0.50) | TDP1CYP2D6HDAC6HDAC4HDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005051380-A1 | SUBSTITUTED UREA-OCTAHYDROINDOLS AS ANTAGONISTS OF MELANIN CONCENTRATING HORMONE RECEPTOR 1 (MCH1R) | BIOVITRUM AB (SE) | 2005-06-09 | — | — | WO | claimed |