Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.68 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | ATM | Q13315 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.48 |
| ▸ | GPR183 | P32249 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7424735 | 0.95 | ALDH1A1 (0.64) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL23850789 | 0.85 | ALDH1A1 (0.85) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL3262128 | 0.83 | ALDH1A1 (0.96) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL16226380 | 0.83 | ALDH1A1 (0.81) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL807350 | 0.81 | ALDH1A1 (1.00) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL7422649 | 0.81 | SIGMAR1 (0.61) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| Hydrochloric Acid SCHEMBL7409874 | 0.80 | ALDH1A1 (0.96) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL14614566 | 0.79 | ALDH1A1 (0.70) | ALDH1A1CYP2A13LMNASMN1; SMN2POLB | |
| SCHEMBL7425120 | 0.77 | SIGMAR1 (0.64) | ALDH1A1LMNAPOLB | |
| SCHEMBL7423301 | 0.76 | ALDH1A1 (0.50) | ALDH1A1KDM4EKMT2AMEN1ATM |
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-1997044334-A2 | NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION | EGIS Gyógyszergyár Rt. (HU) | 1997-11-27 | — | — | WO | disclosed |