Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | TDO2 | P48775 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.33 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20187377 | 0.80 | IDO1 (0.41) | IDO1TDO2ACHEAOC3NFE2L2 | |
| SCHEMBL8773918 | 0.77 | MEN1 (0.52) | IDO1TDO2ACHEAOC3HDAC3 | |
| SCHEMBL7423751 | 0.77 | IDO1 (0.35) | IDO1TDO2ACHEAOC3NFE2L2 | |
| SCHEMBL3719178 | 0.76 | ESR1 (0.48) | MEN1KMT2AATMALDH1A1GAA | |
| SCHEMBL109077 | 0.76 | ESR1 (0.48) | MEN1KMT2AATMALDH1A1GAA | |
| SCHEMBL692130 | 0.75 | MEN1 (0.39) | MEN1KMT2AATM | |
| SCHEMBL8613849 | 0.75 | MEN1 (0.39) | MEN1KMT2AATM | |
| SCHEMBL5037241 | 0.71 | CYP3A4 (0.43) | HDAC8MEN1KMT2AALDH1A1GAA | |
| SCHEMBL7413797 | 0.71 | IDO1 (0.34) | IDO1TDO2AOC3HDAC3HDAC4 | |
| SCHEMBL3540663 | 0.70 | IDO1 (0.41) | IDO1TDO2HDAC3HDAC4HDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1289957-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | AstraZeneca AB (SE) | 2003-03-12 | — | — | EP | disclosed |
| WO-2001087839-A1 | PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | ASTRAZENECA AB (SE) | 2001-11-22 | — | — | WO | disclosed |
| EP-0354539-B1 | Antiinflammatory carbinoloimidazoles | DU PONT MERCK PHARMA (US) | 1995-04-05 | — | — | EP | disclosed |
| EP-0354539-A2 | Antiinflammatory carbinoloimidazoles | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1990-02-14 | — | — | EP | disclosed |
| US-4859693-A | Antiinflammatory carbinoloimidazoles | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1989-08-22 | — | — | US | disclosed |