Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.41 |
| ▸ | TP53 | P04637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | PDE2A | O00408 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8668975 | 0.98 | AR (0.41) | ARTP53HTTLMNAHPGD | |
| SCHEMBL8500237 | 0.81 | KDM4E (0.39) | TP53HTTLMNAHPGDKDM4E | |
| SCHEMBL8669816 | 0.81 | AR (0.38) | ARTP53HTTLMNAHPGD | |
| SCHEMBL8503831 | 0.78 | MAPT (0.39) | ARTP53HTTLMNAHPGD | |
| SCHEMBL8443200 | 0.78 | KMT2A (0.42) | ARTP53HTTLMNAHPGD | |
| SCHEMBL4496900 | 0.74 | KDM4E (0.49) | HTTHPGDKDM4EALDH1A1TSHR | |
| SCHEMBL8669093 | 0.73 | PTGS2 (0.45) | ARLMNAALDH1A1TSHRMAPT | |
| Hydrochloric Acid SCHEMBL10563802 | 0.73 | KDM4E (0.48) | HTTHPGDKDM4EALDH1A1TSHR | |
| SCHEMBL8668968 | 0.72 | SMN1; SMN2 (0.39) | ARTP53HTTLMNAHPGD | |
| SCHEMBL8668972 | 0.71 | PTGS2 (0.45) | ARLMNAALDH1A1TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5840910-A | Pyridine derivatives having anti-ulcerative activity | ESAI CO., LTD. (JP) | 1998-11-24 | — | — | US | disclosed |