Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | MMP8 | P22894 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11256573 | 0.79 | ELANE (0.40) | TSHRELANECYP3A4MAPTKDM4E | |
| SCHEMBL4174555 | 0.69 | CYP3A4 (0.49) | ELANECYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL4142581 | 0.67 | LMNA (0.31) | LMNA | |
| SCHEMBL11263469 | 0.67 | CYP2C9 (0.48) | MAPTALDH1A1CYP2C9MMP2MMP9 | |
| SCHEMBL10029373 | 0.64 | ELANE (0.36) | TSHRELANECYP3A4MAPTKDM4E | |
| SCHEMBL5006824 | 0.63 | CYP3A4 (0.36) | TSHRELANECYP3A4MAPTKDM4E | |
| SCHEMBL13645874 | 0.63 | MGLL (0.39) | ELANECYP3A4MAOAMAOBMMP2 | |
| SCHEMBL6809751 | 0.63 | S1PR1 (0.40) | ELANECYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL11256566 | 0.63 | ELANE (0.42) | ELANECYP3A4MAPTKDM4EALDH1A1 | |
| SCHEMBL6380088 | 0.63 | MAOA (0.42) | TSHRELANEMAPTMAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| US-4680284-A | RENNIN INHIBITORS, HYPOTENSIVE AGENTS | ABBOTT LABORATORIES (US) | 1987-07-14 | — | — | US | disclosed |
| EP-0189203-A2 | Peptidylaminodiols | ABBOTT LABORATORIES (US) | 1986-07-30 | — | — | EP | disclosed |