Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | MLYCD | O95822 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.40 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3853802 | 0.92 | MLYCD (0.51) | HPGDMLYCDTP53LPAR1LPAR5 | |
| SCHEMBL3857013 | 0.91 | HPGD (0.53) | HPGDMLYCDTP53CYP1A2CYP2D6 | |
| SCHEMBL3853804 | 0.81 | TP53 (0.51) | HPGDMLYCDTP53LPAR1LPAR5 | |
| SCHEMBL3350813 | 0.77 | HPGD (0.43) | HPGDMLYCDTP53LPAR1EGFR | |
| SCHEMBL18767254 | 0.76 | HPGD (0.51) | HPGDMLYCDTP53EGFRERBB2 | |
| SCHEMBL19623314 | 0.75 | HPGD (0.77) | HPGDMLYCDTP53NPSR1EGFR | |
| SCHEMBL9300893 | 0.72 | HPGD (0.58) | HPGDMLYCDTP53EGFRERBB2 | |
| SCHEMBL18767176 | 0.71 | MLYCD (0.50) | HPGDMLYCDTP53LPAR1LPAR5 | |
| SCHEMBL144208 | 0.71 | ERN1 (0.48) | HPGDMEN1KMT2AHTTALDH1A1 | |
| SCHEMBL26314066 | 0.70 | MLYCD (0.64) | HPGDMLYCDTP53LPAR1LPAR5 |
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-1740575-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005108358-A2 | PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS | ELI LILLY AND COMPANY (US) | 2005-11-17 | — | — | WO | disclosed |