Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.64 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | STAT1 | P42224 | 1/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | CES1 | P23141 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | MAOB | P27338 | 3/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.51 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6989990 | 0.88 | TNFRSF1A (0.72) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL6989989 | 0.88 | TNFRSF1A (0.72) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL6451968 | 0.82 | TNFRSF1A (0.64) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL4214525 | 0.81 | TNFRSF1A (0.57) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL6942827 | 0.80 | ALDH1A1 (0.67) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL9798239 | 0.80 | TNFRSF1A (0.62) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL6942832 | 0.80 | ALDH1A1 (0.67) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL9798236 | 0.80 | TNFRSF1A (0.62) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL20273264 | 0.80 | TNFRSF1A (0.62) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 | |
| SCHEMBL956091 | 0.80 | CYP1A2 (0.63) | TNFRSF1ACYP1A2CYP2C19SMN1; SMN2MEN1 |
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-104926788-A | Substituted piperidin derivative, and pharmaceutical composition containing substituted piperidin derivative and application thereof in antitumor | UNIV ZHEJIANG | 2015-09-23 | — | — | CN | disclosed |