Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | BCR | P11274 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.42 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.42 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28757992 | 0.78 | PARP10 (0.41) | NPC1SMN1; SMN2ESR2CYP11B1CYP11B2 | |
| SCHEMBL27622003 | 0.77 | CYP3A4 (0.44) | NPC1RAB9ACYP11B1CYP11B2CYP3A4 | |
| SCHEMBL971871 | 0.75 | MAOA (0.50) | PTGS2CYP11B1CYP11B2MAOAMAOB | |
| SCHEMBL1616390 | 0.74 | CA2 (0.47) | CYP11B2MAOAMAOBCA12CA9 | |
| SCHEMBL27622023 | 0.72 | HRH3 (0.48) | MAOB | |
| SCHEMBL18932233 | 0.71 | CYP3A4 (0.55) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL33722042 | 0.71 | CYP3A4 (0.55) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL13358868 | 0.71 | CYP3A4 (0.55) | ABL1ABCB1BCRNPC1TP53 | |
| SCHEMBL9163057 | 0.70 | NQO1 (0.45) | NPC1TP53ESR2CYP11B1CYP11B2 | |
| SCHEMBL197522 | 0.69 | CA1 (0.79) | ABL1ABCB1BCRNPC1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1735408-A | Receptor function controlling agent | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2006-02-15 | — | — | CN | disclosed |