Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL6571003 | 0.94 | TSHR (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL7933230 | 0.85 | TSHR (0.46) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL16116069 | 0.84 | ATM (0.40) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL27530078 | 0.83 | ACHE (0.41) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL28914772 | 0.82 | ALDH1A1 (0.39) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL27536268 | 0.82 | ALDH1A1 (0.39) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL28914773 | 0.82 | ALDH1A1 (0.39) | TSHRHPGDATMHCAR2ALDH1A1 | |
| SCHEMBL9827643 | 0.81 | CYP4F2 (0.44) | TSHRHPGDATMHCAR2ALDH1A1 | |
| Acetic Acid SCHEMBL11697282 | 0.79 | ALDH1A1 (0.41) | TSHRHPGDATMHCAR2ALDH1A1 | |
| Acetic Acid SCHEMBL11697268 | 0.79 | ALDH1A1 (0.41) | TSHRHPGDATMHCAR2ALDH1A1 |
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-1682521-A1 | MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF | Novartis AG (CH) | 2006-07-26 | — | — | EP | disclosed |
| WO-2005049585-A1 | MACROCYCLIC LACTAMS AND PHARMACEUTICAL USE THEREOF | NOVARTIS AG (CH) | 2005-06-02 | — | — | WO | disclosed |