Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.30 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.30 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.30 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.30 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.30 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL7946945 | 0.61 | — | — | |
| SCHEMBL12562490 | 0.58 | HDAC6 (0.37) | HDAC6HDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL19020657 | 0.55 | TTR (0.43) | MAPT | |
| SCHEMBL19020662 | 0.55 | TTR (0.43) | MAPT | |
| Trifluoromethanesulfonic Acid SCHEMBL8194641 | 0.54 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL14048944 | 0.54 | HDAC4 (0.36) | HDAC6POLBHDAC4HDAC3HDAC1 | |
| SCHEMBL1047383 | 0.54 | CA2 (0.67) | ALDH1A1CES1 | |
| Fluoride SCHEMBL28750147 | 0.53 | — | — | |
| SCHEMBL24129826 | 0.52 | HDAC4 (0.33) | HDAC6HDAC4HDAC3HDAC1CES1 | |
| SCHEMBL20618247 | 0.51 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5693827-A | Treatment of HIV infections and compounds useful therein | UNIROYAL CHEMICAL COMPANY, INC. | 1997-12-02 | — | — | US | disclosed |
| EP-0497816-B1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD (CA) | 1995-05-17 | — | — | EP | disclosed |
| US-5268389-A | Containing a benzene ring | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1993-12-07 | — | — | US | disclosed |
| EP-0497816-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. | UNIROYAL CHEMICAL LTD (CA) | 1992-08-12 | — | — | EP | disclosed |
| WO-1991005761-A1 | TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN | UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) | 1991-05-02 | — | — | WO | disclosed |