Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.60 |
| ▸ | PKM | P14618 | 4/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | EED | O75530 | 1/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | HTR2C | P28335 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13746152 | 0.87 | ALDH1A1 (0.74) | ALDH1A1PKMCYP3A4CYP2C9HSD17B10 | |
| SCHEMBL2447403 | 0.86 | ALDH1A1 (0.73) | ALDH1A1SMN1; SMN2KMT2ATSHRHTR2C | |
| SCHEMBL5530350 | 0.86 | ALDH1A1 (0.72) | ALDH1A1PKMCYP3A4CYP2C9HSD17B10 | |
| SCHEMBL2444405 | 0.81 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2LMNAHTR2C | |
| SCHEMBL4434645 | 0.81 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2LMNAHTR2C | |
| SCHEMBL17048433 | 0.81 | ALDH1A1 (0.85) | ALDH1A1SMN1; SMN2KMT2ALMNATSHR | |
| SCHEMBL2449555 | 0.80 | F10 (0.64) | ALDH1A1KMT2ATSHR | |
| SCHEMBL44441 | 0.79 | NPC1 (0.76) | ALDH1A1PKMSMN1; SMN2KMT2A | |
| SCHEMBL44440 | 0.79 | NPC1 (0.76) | ALDH1A1PKMSMN1; SMN2KMT2A | |
| Hydrochloric Acid SCHEMBL694838 | 0.78 | HTR2C (0.52) | ALDH1A1SMN1; SMN2KMT2ATSHRHTR2C |
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-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |