Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 10/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL6950962 | 0.89 | NCEH1 (0.40) | NCEH1TSHRPKMBCHEACHE | |
| SCHEMBL5199102 | 0.82 | CYP1A2 (0.40) | ACHE | |
| SCHEMBL6950134 | 0.81 | TSHR (0.47) | TSHRNPC1RAB9ALMNAACHE | |
| SCHEMBL6950959 | 0.77 | RAB9A (0.42) | NCEH1PKMRAB9ABCHELMNA | |
| SCHEMBL6950130 | 0.77 | NCEH1 (0.39) | NCEH1 | |
| SCHEMBL6948132 | 0.76 | RAB9A (0.51) | PKMRAB9ABCHEACHE | |
| SCHEMBL5199748 | 0.76 | RAB9A (0.51) | PKMRAB9ABCHEACHE | |
| SCHEMBL6950641 | 0.75 | TSHR (0.46) | NCEH1TSHRPKMNPC1RAB9A | |
| SCHEMBL3865746 | 0.75 | TSHR (0.43) | NCEH1TSHRPKMNPC1RAB9A | |
| SCHEMBL5199107 | 0.75 | ACHE (0.55) | BCHEACHE |
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-1362844-B1 | BENZYLAMINE ANALOGUE | BTG INT LTD (GB) | 2007-12-05 | — | — | EP | disclosed |
| EP-1362844-A1 | BENZYLAMINE ANALOGUE | Sankyo Company, Limited (JP) | 2003-11-19 | — | — | EP | disclosed |