Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.51 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.51 |
| ▸ | NR1H4 | Q96RI1 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.46 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3601059 | 0.84 | EPHX2 (0.51) | HDAC1HDAC6EPHX2NR1H4KMT2A | |
| SCHEMBL6887455 | 0.80 | PLK1 (0.59) | HDAC1KMT2AMAPTLMNANPC1 | |
| SCHEMBL18422592 | 0.80 | CYP1A2 (0.55) | HDAC1HDAC6EPHX2NR1H4KMT2A | |
| SCHEMBL5592762 | 0.78 | EPHX2 (0.66) | HDAC1HDAC6EPHX2NR1H4KMT2A | |
| SCHEMBL26112506 | 0.78 | KMT2A (0.61) | HDAC1HDAC6EPHX2NR1H4KMT2A | |
| SCHEMBL29033382 | 0.78 | ALDH1A1 (0.57) | HDAC1HDAC6KMT2AMAPTLMNA | |
| Acetic Acid SCHEMBL23201172 | 0.78 | ST14 (0.55) | KMT2ACYP1A2CYP2D6CYP2C9TSHR | |
| SCHEMBL23754986 | 0.78 | ALDH1A1 (0.67) | HDAC1HDAC6EPHX2NR1H4KMT2A | |
| SCHEMBL3601311 | 0.76 | HDAC6 (0.74) | HDAC1HDAC6HDAC3HDAC4HDAC7 | |
| SCHEMBL3604548 | 0.76 | RAB9A (0.71) | HDAC1HDAC6KMT2ALMNANPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007017728-A2 | NOVEL HETEROCYCLIC COMPOUNDS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-02-15 | — | — | WO | claimed |
| WO-2007017728-A2 | NOVEL HETEROCYCLIC COMPOUNDS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-02-15 | — | — | WO | disclosed |