Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.58 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6425207 | 0.89 | KMT2A (0.52) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL6424185 | 0.88 | TP53 (0.61) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL6421265 | 0.88 | KMT2A (0.51) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL8130566 | 0.86 | KMT2A (0.50) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL8134305 | 0.85 | TP53 (0.52) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| Iodomethane SCHEMBL8593226 | 0.83 | TP53 (0.50) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL12970651 | 0.81 | RXFP1 (0.56) | ALDH1A1HPGDKCNJ1KMT2ATP53 | |
| SCHEMBL8179017 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HPGDKMT2ATP53PTGS2 | |
| SCHEMBL8530014 | 0.77 | ALDH1A1 (0.54) | ALDH1A1HPGDKMT2ATP53PTGS2 | |
| SCHEMBL8594200 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HPGDKCNJ1KMT2ATP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6096766-A | 3-benzylaminopiperidines as tachykinin receptor antagonists | MERCK SHARP & DOHME LTD. (GB) | 2000-08-01 | — | — | US | disclosed |
| EP-0866790-A1 | 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1998-09-30 | — | — | EP | disclosed |
| WO-1997021702-A1 | 3-BENZYLAMINOPYRROLIDINES AND -PIPERIDINES AS TACHYKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |