Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CCR1 | P32246 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13348713 | 0.77 | EPHX1 (0.51) | ALDH1A1CCR1RAB9ANPC1EPHX1 | |
| SCHEMBL6928586 | 0.77 | HDAC3 (0.54) | ALDH1A1CCR1RAB9ANPC1EPHX1 | |
| SCHEMBL6368657 | 0.76 | ALDH1A1 (0.42) | ALDH1A1MAPTCCR1RAB9AEPHX1 | |
| SCHEMBL25464076 | 0.72 | MAPT (0.46) | ALDH1A1MAPTCCR1RAB9AEPHX1 | |
| SCHEMBL10639153 | 0.71 | PKM (0.46) | ALDH1A1CCR1RAB9ANPC1EPHX1 | |
| SCHEMBL11582899 | 0.71 | CCR1 (0.53) | ALDH1A1CCR1RAB9ANPC1EPHX1 | |
| SCHEMBL27768044 | 0.69 | ALDH1A1 (0.49) | ALDH1A1MAPTRAB9AEPHX1EPHX2 | |
| SCHEMBL27481076 | 0.69 | HDAC3 (0.59) | CCR1RAB9ANPC1SMN1; SMN2MEN1 | |
| SCHEMBL28248578 | 0.69 | RAB9A (0.55) | ALDH1A1RAB9AEPHX1PKMEPHX2 | |
| SCHEMBL3149061 | 0.68 | RAB9A (0.54) | ALDH1A1MAPTRAB9ANPC1EPHX1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1493739-A1 | Thiophene derivatives of aminoacids, process for the preparation thereof and compositions containing them | Warner-Lambert Company LLC (US) | 2005-01-05 | — | — | EP | disclosed |