Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GLA | P06280 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4301694 | 0.91 | GAA (0.56) | TP53TSHRMAPK1KMT2AALDH1A1 | |
| SCHEMBL4065279 | 0.87 | TP53 (0.69) | TP53TSHRMAPK1KMT2AALDH1A1 | |
| SCHEMBL16463454 | 0.84 | S1PR1 (0.46) | TP53TSHRMAPK1KMT2AALDH1A1 | |
| SCHEMBL6570853 | 0.82 | KMT2A (0.51) | TP53TSHRMAPK1KMT2AALDH1A1 | |
| SCHEMBL5482146 | 0.81 | KMT2A (0.67) | TP53TSHRMAPK1KMT2AALDH1A1 | |
| SCHEMBL9001626 | 0.80 | ADRA2C (0.65) | TP53TSHRKMT2AALDH1A1GLA | |
| SCHEMBL10330501 | 0.80 | TP53 (0.79) | TP53TSHRMAPK1KMT2ALMNA | |
| SCHEMBL2228382 | 0.78 | KMT2A (0.63) | TP53TSHRMAPK1KMT2ASMN1; SMN2 | |
| SCHEMBL12332158 | 0.77 | TP53 (0.50) | TP53TSHRMAPK1KMT2ASMN1; SMN2 | |
| SCHEMBL1928093 | 0.77 | PKM (0.54) | TP53TSHRKMT2AALDH1A1GLA |
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-2012014127-A1 | 5-LIPOXYGENASE INHIBITORS | RANBAXY LABORATORIES LIMITED (IN) | 2012-02-02 | — | — | WO | claimed |