Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | RXRA | P19793 | 2/20 | 0.33 |
| ▸ | RXRB | P28702 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17398529 | 0.79 | CYP2A6 (0.38) | MEN1KMT2ACYP2A6HPGDLMNA | |
| SCHEMBL3500260 | 0.79 | POLB (0.35) | SRCMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL1260061 | 0.77 | MEN1 (0.44) | SRCMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL17398477 | 0.76 | CYP2A6 (0.38) | CYP2A6ALDH1A1 | |
| SCHEMBL4671566 | 0.73 | SMN1; SMN2 (0.42) | SRCMEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL1417254 | 0.72 | ALDH1A1 (0.39) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL3500419 | 0.69 | CYP2A6 (0.36) | MEN1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL2222194 | 0.68 | — | — | |
| SCHEMBL3500262 | 0.67 | CYP2A6 (0.34) | MEN1KMT2ACYP2A6POLBMAPT | |
| SCHEMBL17398480 | 0.66 | CYP2A6 (0.41) | MEN1KMT2ACYP2A6POLBMAPT |
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-2077267-A1 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2009-07-08 | — | — | EP | disclosed |