Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.82 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.82 |
| ▸ | RAB9A | P51151 | 11/20 | 0.67 |
| ▸ | NPC1 | O15118 | 10/20 | 0.67 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | HTT | P42858 | 1/20 | 0.62 |
| ▸ | TP53 | P04637 | 2/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.57 |
| ▸ | PKM | P14618 | 2/20 | 0.57 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | NAMPT | P43490 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3228556 | 1.00 | ALDH1A1 (0.82) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL17667093 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL17667095 | 0.90 | ALDH1A1 (1.00) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL3263544 | 0.86 | ALDH1A1 (0.66) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL3263543 | 0.86 | ALDH1A1 (0.66) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL14164232 | 0.81 | ALDH1A1 (0.71) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL21162643 | 0.81 | ALDH1A1 (0.81) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL7934795 | 0.80 | HDAC1 (0.58) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL21593633 | 0.80 | RAB9A (1.00) | ALDH1A1KDM4ERAB9ANPC1LMNA | |
| SCHEMBL16180694 | 0.80 | RAB9A (1.00) | ALDH1A1KDM4ERAB9ANPC1LMNA |
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-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |