Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | ATM | Q13315 | 2/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | GAA | P10253 | 2/20 | 0.31 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9843695 | 1.00 | ALDH1A1 (0.33) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9843698 | 1.00 | ALDH1A1 (0.33) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL254515 | 0.79 | ALDH1A1 (0.37) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9456919 | 0.79 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9457024 | 0.79 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9456923 | 0.79 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL30929941 | 0.79 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL7753032 | 0.78 | EGLN1 (0.35) | ALDH1A1LMNASMN1; SMN2POLBKMT2A | |
| SCHEMBL7757191 | 0.78 | EGLN1 (0.35) | ALDH1A1LMNASMN1; SMN2POLBKMT2A | |
| SCHEMBL7753034 | 0.78 | EGLN1 (0.35) | ALDH1A1LMNASMN1; SMN2POLBKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012031298-A2 | ETHYNYLBENZENE DERIVATIVES | DUKE UNIVERSITY (US) | 2012-03-08 | — | — | WO | disclosed |