Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | CTSS | P25774 | 2/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | KDM4A | O75164 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446751 | 0.91 | TDP2 (0.39) | ALDH1A1TAAR1CTSSCTSKLMNA | |
| SCHEMBL6822579 | 0.89 | CTSK (0.54) | ALDH1A1TAAR1CTSSCTSKLMNA | |
| SCHEMBL6442447 | 0.88 | ALDH1A1 (0.38) | ALDH1A1TAAR1CTSSCTSKLMNA | |
| SCHEMBL6443547 | 0.86 | CTSK (0.43) | CTSSCTSKCYP2C19POLBCTSL | |
| SCHEMBL6443588 | 0.81 | NPC1 (0.51) | CTSSCTSKPOLBCTSLKDM4A | |
| SCHEMBL6445366 | 0.80 | CTSS (0.47) | ALDH1A1CTSSCTSKPOLBCTSL | |
| SCHEMBL6443393 | 0.79 | CTSK (0.43) | CTSSCTSKCYP2D6CYP2C19POLB | |
| SCHEMBL6446467 | 0.79 | CTSK (0.49) | ALDH1A1CTSSCTSKLMNACYP2D6 | |
| SCHEMBL6448077 | 0.78 | KDM4E (0.54) | TAAR1CTSSCTSKLMNACYP2C19 | |
| SCHEMBL6447305 | 0.78 | CTSS (0.43) | CTSSCTSKLMNAPOLBCTSL |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | claimed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | claimed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | claimed |
| EP-1575903-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | Jerini AG (DE) | 2005-09-21 | — | — | EP | disclosed |
| WO-2004065353-A1 | COMPOUNDS FOR THE INHIBITION OF ROTAMASES | JERINI AG (DE) | 2004-08-05 | — | — | WO | disclosed |
| WO-2004056755-A2 | COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES | JERENI AG (DE) | 2004-07-08 | — | — | WO | disclosed |