Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441987 | 0.90 | CTSK (0.46) | CTSDHPGDALDH1A1HTTLMNA | |
| SCHEMBL6472461 | 0.88 | CTSD (0.46) | CTSDHPGDALDH1A1HTTLMNA | |
| SCHEMBL6445664 | 0.87 | ALDH1A1 (0.45) | CTSDHPGDALDH1A1HTTLMNA | |
| SCHEMBL6446969 | 0.86 | KDM4E (0.44) | LMNAMEN1KMT2AATMCYP1A2 | |
| SCHEMBL6447483 | 0.85 | ATM (0.49) | HPGDALDH1A1LMNAMEN1KMT2A | |
| SCHEMBL6447322 | 0.83 | CTSK (0.42) | ATMCTSLCTSSCTSKNPC1 | |
| SCHEMBL6020168 | 0.79 | CTSL (0.54) | HPGDCTSLCTSSCTSK | |
| SCHEMBL6447648 | 0.79 | MTNR1A (0.40) | ALDH1A1MEN1KMT2AATMCYP1A2 | |
| SCHEMBL6445609 | 0.78 | CTSK (0.52) | CTSDHPGDALDH1A1HTTLMNA | |
| SCHEMBL6443504 | 0.78 | CTSK (0.37) | HPGDALDH1A1MEN1KMT2AATM |
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 |
|---|---|---|---|---|---|---|---|
| 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 |