Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 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 | |
|---|---|---|---|---|
| SCHEMBL6467328 | 0.84 | KMT2A (0.35) | ALDH1A1KMT2AHPGDPKMLMNA | |
| SCHEMBL6466202 | 0.78 | LMNA (0.36) | ALDH1A1KMT2AHPGDPKMLMNA | |
| SCHEMBL7046555 | 0.75 | SLC1A3 (0.36) | KMT2ALMNAMEN1MAPTPSMB5 | |
| SCHEMBL6465152 | 0.71 | MAPT (0.39) | ALDH1A1KMT2AHPGDPKMLMNA | |
| SCHEMBL7049043 | 0.69 | MAPT (0.38) | LMNAMAPT | |
| SCHEMBL7147624 | 0.67 | HDAC3 (0.39) | ALDH1A1LMNACYP2D6CYP3A4POLB | |
| SCHEMBL7172022 | 0.66 | CNR1 (0.46) | ALDH1A1KMT2AHPGDPKMLMNA | |
| SCHEMBL7046317 | 0.64 | SLC1A3 (0.39) | KMT2ALMNACYP3A4MEN1MAPT | |
| SCHEMBL29828494 | 0.62 | ALDH1A1 (0.58) | ALDH1A1KMT2AHPGDMEN1MAPT | |
| SCHEMBL30805758 | 0.62 | ALDH1A1 (0.58) | ALDH1A1KMT2AHPGDMEN1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1516877-A1 | Amine derivatives as protease inhibitors | AXYS PHARMACEUTICALS, INC. (US) | 2005-03-23 | — | — | EP | disclosed |