Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9769954 | 0.87 | ALOX5 (0.42) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL4693687 | 0.86 | CTSK (0.38) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL9542762 | 0.82 | L3MBTL1 (0.42) | TSHRTP53POLBKMT2ANPC1 | |
| SCHEMBL9326172 | 0.82 | ALOX5 (0.42) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL6032865 | 0.81 | CYP2C19 (0.42) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL4629953 | 0.77 | ALDH1A1 (0.54) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL4152673 | 0.77 | TACR3 (0.40) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL11534783 | 0.76 | ALOX5 (0.44) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 | |
| SCHEMBL9779583 | 0.75 | ALDH1A1 (0.41) | POLBNPSR1KMT2ANPC1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL8845008 | 0.75 | CYP2C19 (0.39) | CYP2C19CYP3A4CYP2D6CYP2C9ALOX15 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5015659-A | Cognition activators to slow aging of the brain | CASSELLA AKTIENGESELLSCHAFT (DE) | 1991-05-14 | — | — | US | disclosed |
| EP-0388750-A1 | Thienyl piperazines, process for their preparation, their use, pharmaceutical agents containing them and their production | CASSELLA Aktiengesellschaft (DE) | 1990-09-26 | — | — | EP | disclosed |