Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 4/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 2/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7226687 | 0.90 | TUBB4A (0.46) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7231845 | 0.90 | CA12 (0.44) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7222561 | 0.89 | CA12 (0.48) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7231985 | 0.89 | HDAC1 (0.46) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7226619 | 0.89 | HDAC1 (0.46) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7234526 | 0.89 | HDAC1 (0.47) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7073214 | 0.89 | TUBB4A (0.47) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7232218 | 0.89 | HDAC6 (0.48) | HDAC1HDAC6CA12CA1CA2 | |
| SCHEMBL7234556 | 0.88 | CA12 (0.44) | HDAC1HDAC6CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL7072564 | 0.88 | TUBB4A (0.46) | HDAC1HDAC6CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| US-6562816-B2 | Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | disclosed |