Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.34 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 3/20 | 0.34 |
| ▸ | ACHE | P22303 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | ADRA2B | P18089 | 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 | |
|---|---|---|---|---|
| SCHEMBL27832368 | 0.83 | THRA (0.39) | NPSR1CYP1A2CYP2D6PKMADRA1A | |
| SCHEMBL28299901 | 0.76 | ALDH1A1 (0.35) | ALDH1A1HPGDKDM4ESMN1; SMN2TSHR | |
| SCHEMBL18290201 | 0.72 | THRA (0.51) | ALDH1A1HPGDKDM4ETSHRNPSR1 | |
| SCHEMBL20646950 | 0.66 | P2RX3 (0.41) | ALDH1A1SMN1; SMN2NPBWR1MCHR1TSHR | |
| SCHEMBL25122669 | 0.66 | BCHE (0.41) | BCHEACHETSHRCYP1A2 | |
| SCHEMBL18290221 | 0.64 | THRA (0.38) | NPSR1CYP1A2PKMTHRATHRB | |
| SCHEMBL2625747 | 0.64 | LMNA (0.47) | ALDH1A1SMN1; SMN2TSHRNPSR1CYP1A2 | |
| SCHEMBL26030950 | 0.63 | TSHR (0.53) | ALDH1A1HPGDSMN1; SMN2NPBWR1MCHR1 | |
| Methylamine SCHEMBL11339729 | 0.62 | ADRA1D (0.48) | ALDH1A1ACHESMN1; SMN2TSHRNPSR1 | |
| SCHEMBL25123251 | 0.62 | CNR2 (0.42) | ALDH1A1HPGDMTNR1AMTNR1BTSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016192631-A1 | ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME | 中国科学院上海药物研究所 | 2016-12-08 | — | — | WO | disclosed |