Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.42 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2993639 | 0.81 | PIN1 (0.50) | TSHRALDH1A1PIN1MMP8AOC3 | |
| SCHEMBL4632797 | 0.78 | CASP1 (0.70) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL4632799 | 0.78 | CASP1 (0.70) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL5861445 | 0.76 | CASP1 (0.59) | CASP1TSHRALDH1A1PIN1MMP8 | |
| SCHEMBL19241131 | 0.75 | CASP1 (0.46) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL2722044 | 0.75 | CASP1 (0.46) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL17093307 | 0.75 | CASP1 (0.58) | CASP1ADRB2ADRB1CYP2D6NFKB1 | |
| SCHEMBL10708969 | 0.74 | CASP1 (0.57) | CASP1ADRB2ADRB1TSHRALDH1A1 | |
| SCHEMBL5322140 | 0.74 | CASP1 (0.57) | CASP1TSHRCYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL11506989 | 0.74 | CYP1A2 (0.41) | TSHRABCB11CYP1A2CYP3A4HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1227085-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR | TAKEDA PHARMACEUTICAL (JP) | 2006-03-15 | — | — | EP | disclosed |
| US-6800778-B1 | OPTICALLY ACTIVE CYCLIC PHOSPHORUS COMPOUND USED AS REAGENT FOR OPTICAL RESOLUTION | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2004-10-05 | — | — | US | disclosed |
| EP-1227085-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR | Takeda Chemical Industries, Ltd. (JP) | 2002-07-31 | — | — | EP | disclosed |