Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.55 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.51 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.51 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.51 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.51 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29079343 | 0.85 | TRPV1 (0.55) | ALDH1A1SMN1; SMN2GAATRPV1MAPT | |
| SCHEMBL3858000 | 0.83 | CNR1 (0.63) | ALDH1A1SMN1; SMN2GAAPOLBSAE1 | |
| SCHEMBL7302885 | 0.81 | GAA (0.56) | ALDH1A1SMN1; SMN2GAAPOLBSAE1 | |
| SCHEMBL13776958 | 0.80 | HDAC2 (0.59) | SMN1; SMN2GAAPOLBTRPV1MAPT | |
| SCHEMBL19472704 | 0.80 | CNR1 (0.78) | SMN1; SMN2POLBSAE1UBA2MAPT | |
| SCHEMBL11705109 | 0.80 | TRPV1 (0.82) | SMN1; SMN2GAATRPV1MAPTCYP1A1 | |
| SCHEMBL12915848 | 0.80 | MAPT (0.80) | ALDH1A1GAATRPV1MAPTCYP1A1 | |
| SCHEMBL9261433 | 0.79 | PSMB5 (0.56) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL9268429 | 0.79 | PSMB5 (0.56) | ALDH1A1SMN1; SMN2GAAPOLBMAPT | |
| SCHEMBL3084650 | 0.79 | RORC (0.59) | ALDH1A1GAAPOLBSAE1UBA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5399585-A | Anitcoagulants, antiinflammatory, antitumor | HOFFMANN-LA ROCHE INC. (US) | 1995-03-21 | — | — | US | disclosed |
| EP-0381033-B1 | Carboxylic-acid and sulphonic-acid amides | HOFFMANN LA ROCHE (CH) | 1994-03-23 | — | — | EP | disclosed |
| US-5256812-A | Antitumor agents, cardiovascular disorders; having amidino or guandino groups | HOFFMANN-LA ROCHE INC. (US) | 1993-10-26 | — | — | US | disclosed |
| US-5084466-A | Anticoagulants, antiinflammatory agents, atheriosclerosis and antitumor agents | HOFFMANN-LA ROCHE INC. (US) | 1992-01-28 | — | — | US | disclosed |
| EP-0381033-A1 | Carboxylic-acid and sulphonic-acid amides | F. HOFFMANN-LA ROCHE AG (CH) | 1990-08-08 | — | — | EP | disclosed |