Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ACP3 | P15309 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8658369 | 0.79 | GAA (0.43) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL3061003 | 0.78 | GAA (0.42) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL3556521 | 0.78 | HDAC4 (0.42) | TSHRAOC3 | |
| SCHEMBL27952753 | 0.77 | ACP3 (0.43) | GAAMAPTALDH1A1TSHRHPGD | |
| SCHEMBL16961808 | 0.76 | ACP3 (0.46) | ALDH1A1TSHRACP3MEN1KMT2A | |
| SCHEMBL14991566 | 0.76 | GAA (0.41) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL16321509 | 0.76 | GAA (0.41) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL5740427 | 0.76 | OPRM1 (0.44) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL6691199 | 0.76 | TSHR (0.57) | GAAMAPTALDH1A1TSHRALOX15 | |
| SCHEMBL16956469 | 0.76 | GAA (0.41) | GAAMAPTALDH1A1TSHRALOX15 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2124913-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | Novartis AG (CH) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008077597-A1 | 1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS | NOVARTIS AG (CH) | 2008-07-03 | — | — | WO | disclosed |
| US-4369322-A | WITH CYANOGEN CHLORIDE | DEGUSSA AG (DE) | 1983-01-18 | — | — | US | disclosed |