Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 11/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 5/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | NNMT | P40261 | 1/20 | 0.31 |
| ▸ | CDK9 | P50750 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 6/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MPO | P05164 | 1/20 | 0.31 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3262238 | 0.93 | HDAC3 (0.35) | HDAC1HDAC3POLBTDP1PLAU | |
| SCHEMBL3230242 | 0.86 | HDAC1 (0.43) | HDAC1HDAC3POLBTDP1PLAU | |
| SCHEMBL3241080 | 0.83 | MPO (0.40) | HDAC1HDAC3MPONCOR2 | |
| SCHEMBL3236511 | 0.77 | HDAC3 (0.38) | HDAC1HDAC3MPOHDAC2HDAC6 | |
| SCHEMBL3235377 | 0.75 | HDAC3 (0.42) | HDAC1HDAC3MPONPC1RAB9A | |
| SCHEMBL3233610 | 0.74 | KDM4E (0.38) | HDAC1HDAC3TDP1NPC1RAB9A | |
| SCHEMBL3238571 | 0.74 | HDAC1 (0.36) | HDAC1HDAC3HDAC4HDAC2HDAC8 | |
| SCHEMBL3238619 | 0.73 | KDM4E (0.34) | HDAC1HDAC3MPOHDAC2HDAC6 | |
| SCHEMBL3233689 | 0.72 | HDAC1 (0.42) | HDAC1HDAC3TDP1MPORAB9A | |
| SCHEMBL3263676 | 0.72 | MPO (0.35) | HDAC1HDAC3MPONCOR2 |
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 |