Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 7/20 | 0.40 |
| ▸ | NAAA | Q02083 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16498152 | 1.00 | IDH1 (0.40) | IDH1NAAAHDAC8PPARAHDAC1 | |
| SCHEMBL7689762 | 1.00 | IDH1 (0.40) | IDH1NAAAHDAC8PPARAHDAC1 | |
| SCHEMBL16498155 | 1.00 | IDH1 (0.40) | IDH1NAAAHDAC8PPARAHDAC1 | |
| SCHEMBL17747720 | 0.86 | NAAA (0.42) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL17747717 | 0.86 | NAAA (0.42) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL17747719 | 0.86 | NAAA (0.42) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL4192293 | 0.85 | NAAA (0.44) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL5058893 | 0.85 | NAAA (0.44) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL3963002 | 0.85 | NAAA (0.44) | IDH1NAAAPPARAHDAC1ABCB1 | |
| SCHEMBL5058895 | 0.85 | NAAA (0.44) | IDH1NAAAPPARAHDAC1ABCB1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6362201-B1 | ANTIINFLAMMATORY AGENTS; ANTIALLERGENS | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |
| WO-2000051607-A1 | 3-CYCLOPROPYL AND 3-CYCLOBUTYL PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |