Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CES2 | O00748 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30929941 | 0.84 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9457024 | 0.84 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL7382446 | 0.84 | CA2 (0.36) | ALDH1A1LMNASMN1; SMN2PKMKMT2A | |
| SCHEMBL9456923 | 0.84 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL9456919 | 0.84 | KMT2A (0.41) | ALDH1A1LMNACES2CES1SMN1; SMN2 | |
| SCHEMBL3227911 | 0.82 | ALDH1A1 (0.41) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL6912635 | 0.82 | ALDH1A1 (0.41) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL6914520 | 0.81 | KMT2A (0.35) | ALDH1A1LMNACES2CES1TDP1 | |
| SCHEMBL6566613 | 0.80 | ACHE (0.32) | TDP1 | |
| SCHEMBL7376074 | 0.79 | CA1 (0.43) | ALDH1A1CES2CES1SMN1; SMN2GSK3B |
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 |