Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.53 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.53 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | RAB9A | P51151 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | ACHE | P22303 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL16585812 | 0.92 | MAPT (0.60) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30955004 | 0.92 | MAPT (0.60) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30026444 | 0.90 | KMT2A (0.53) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL22801022 | 0.83 | KMT2A (0.54) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30954999 | 0.82 | ACHE (0.52) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL21612896 | 0.82 | ACHE (0.52) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL27605930 | 0.82 | TDP1 (0.50) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL22801021 | 0.81 | LMNA (0.51) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL22801018 | 0.81 | LMNA (0.51) | KMT2ATDP1SLC6A2SLC6A3LMNA | |
| SCHEMBL30718459 | 0.80 | MAPT (0.54) | KMT2ATDP1LMNAALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018071283-A1 | KDM5 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2018-04-19 | — | — | WO | disclosed |