Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR2B | P41595 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.34 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16606251 | 0.84 | ALDH1A1 (0.46) | TDP1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL1911936 | 0.81 | CA12 (0.48) | HTR2AALDH1A1KDM4EMAPTKMT2A | |
| SCHEMBL4012282 | 0.80 | CSNK2A1 (0.51) | CSNK2A1KDM4EKMT2A | |
| SCHEMBL2575428 | 0.80 | KCNQ3 (0.36) | ALDH1A1CSNK2A1HPGDFFAR4IRAK4 | |
| SCHEMBL23744 | 0.79 | CA12 (0.45) | ALDH1A1KDM4EMAPTKMT2ASMN1; SMN2 | |
| SCHEMBL16955559 | 0.76 | NQO1 (0.45) | TDP1TSHRALDH1A1KDM4EHPGD | |
| SCHEMBL16955239 | 0.75 | PPARD (0.41) | FFAR4CYP1A2 | |
| SCHEMBL28111658 | 0.75 | ALDH1A3 (0.42) | TDP1TSHRHTR2AHTR2CHTR2B | |
| SCHEMBL2997372 | 0.75 | KCNK3 (0.39) | CSNK2A1 | |
| SCHEMBL3659032 | 0.74 | ESR1 (0.43) | TDP1TSHRALDH1A1KDM4EHSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009133970-A1 | CRYSTALLINE COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-11-05 | — | — | WO | disclosed |
| EP-2074117-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-07-01 | — | — | EP | disclosed |
| WO-2008062905-A2 | HETEROMONOCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-29 | — | — | WO | disclosed |