Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 4/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.34 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL23912730 | 0.82 | NFE2L2 (0.36) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL22564795 | 0.81 | ALOX15 (0.43) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL11822275 | 0.78 | TP53 (0.44) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL20311493 | 0.77 | ALOX15 (0.41) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL2019539 | 0.76 | HSD17B10 (0.43) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL18680666 | 0.76 | CA3 (0.42) | NFE2L2CYP2A6CYP1A2TDP1ALDH1A1 | |
| SCHEMBL18680742 | 0.76 | CYP3A4 (0.43) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL900119 | 0.74 | ALOX15 (0.38) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL27884492 | 0.73 | ALOX15 (0.68) | TP53ALOX15MEN1LMNAKMT2A | |
| SCHEMBL28338818 | 0.73 | ESR1 (0.36) | ALOX15MEN1KMT2AHSD17B10MAPT |
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-3094325-B1 | HETEROARYLS AND USES THEREOF | TAKEDA PHARMACEUTICALS CO (JP) | 2021-10-13 | — | — | EP | disclosed |
| EP-2501236-B1 | N-[2-fluoro-3-(4-amino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-phenyl]-4-benzenesulfonamide derivatives as Raf protein kinase modulators for the treatment of cancer | PLEXXIKON INC (US) | 2017-03-29 | — | — | EP | disclosed |