Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.59 |
| ▸ | MAOB | P27338 | 3/20 | 0.56 |
| ▸ | MAOA | P21397 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL791926 | 0.86 | TSHR (0.62) | TSHRMAOBMAOALMNACYP1A2 | |
| SCHEMBL1767329 | 0.84 | TSHR (0.65) | TSHRMAOBMAOALMNACYP1A2 | |
| SCHEMBL3721964 | 0.81 | TSHR (0.57) | TSHRMAOBMAOALMNACYP1A2 | |
| SCHEMBL20337575 | 0.81 | TSHR (0.61) | TSHRMAOBMAOALMNAMEN1 | |
| SCHEMBL9628070 | 0.81 | TSHR (0.66) | TSHRMAOBMAOALMNAMEN1 | |
| SCHEMBL402251 | 0.81 | IDO1 (0.62) | TSHRMAOBMAOALMNAALDH1A1 | |
| SCHEMBL5717162 | 0.81 | TSHR (0.61) | TSHRMAOBMAOALMNACYP1A2 | |
| SCHEMBL4798585 | 0.81 | TSHR (0.61) | TSHRMAOBMAOALMNACYP1A2 | |
| SCHEMBL6577663 | 0.80 | IDO1 (0.61) | TSHRMAOBLMNACYP2C19ALDH1A1 | |
| SCHEMBL11214531 | 0.80 | TSHR (0.56) | TSHRMAOBMAOALMNACYP1A2 |
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-102746316-B | An m-nitroarylmethoxy camptothecin anoxic activation prodrug for antitumor drugs | JINAN TRIO PHARMATECH CO LTD | 2015-04-15 | — | — | CN | disclosed |