Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 4/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30788042 | 0.82 | CYP2A6 (0.54) | CYP2A6CA1CA2MAPTHDAC2 | |
| SCHEMBL1308770 | 0.82 | CYP2A6 (0.54) | CYP2A6CA1CA2MAPTHDAC2 | |
| Hydrochloric Acid SCHEMBL15910606 | 0.80 | CYP2A6 (0.52) | CYP2A6CA1CA2MAPTHDAC2 | |
| Ethane SCHEMBL277680 | 0.78 | CYP2A6 (0.50) | CYP2A6CA1CA2MAPTHDAC2 | |
| Bicarbonate SCHEMBL9262624 | 0.78 | HDAC2 (0.49) | CYP2A6CA1CA2MAPTLMNA | |
| SCHEMBL8786726 | 0.77 | CYP2A6 (0.48) | CYP2A6CA1CA2MAPTLMNA | |
| SCHEMBL3456141 | 0.75 | MAOB (0.49) | CYP2A6MAPTLMNAMAOBTP53 | |
| SCHEMBL10890683 | 0.73 | MAPT (0.54) | CYP2A6CA2MAPTLMNAMAOB | |
| SCHEMBL6288503 | 0.73 | HDAC3 (0.57) | CYP2A6MAPTLMNAMAOBHDAC2 | |
| SCHEMBL29285353 | 0.73 | CYP2A6 (0.50) | CYP2A6CA1CA2MAPTHDAC2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4614745-A | Anti-allergic 3-(carboxycarbonyl)amino benzothiopyran-4-one derivatives, compositions, and method of use therefor | CIBA-GEIGY CORPORATION (US) | 1986-09-30 | — | — | US | disclosed |
| EP-0159964-A2 | 3-Substituted thiopyrone | CIBA-GEIGY AG (CH) | 1985-10-30 | — | — | EP | disclosed |
| US-4259506-A | SELECTIVELY DESTROYING WEEDS IN CROPS | PHILAGRO (FR) | 1981-03-31 | — | — | US | disclosed |