Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | BRD4 | O60885 | 5/20 | 0.40 |
| ▸ | CCL2 | P13500 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | PRKDC | P78527 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27578391 | 0.77 | ALDH1A1 (0.44) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL6074170 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL5165016 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL6073770 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL4148886 | 0.76 | ALDH1A1 (0.43) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL6604704 | 0.73 | ALDH1A1 (0.49) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL6073885 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL6608851 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4ETSHRTDP1MAPT | |
| SCHEMBL8532730 | 0.72 | BRD4 (0.52) | ALDH1A1TSHRMAPTBRD4CCL2 | |
| SCHEMBL25295086 | 0.70 | CYP2A6 (0.38) | ALDH1A1KDM4ETSHRMAPTBRD4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1272484-A2 | BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS | Pfizer Products Inc. (US) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001077100-A2 | BENZOAMIDE PIPERIDINE COMPOUNDS AS SUBSTANCE P ANTAGONISTS | PFIZER PRODUCTS INC. (US) | 2001-10-18 | — | — | WO | disclosed |