Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.54 |
| ▸ | PIN1 | Q13526 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10963524 | 0.81 | MAPT (0.46) | PKMMAPTRAB9ANPC1PIN1 | |
| SCHEMBL10964778 | 0.80 | MAPT (0.46) | MAPTRAB9ANPC1PIN1PTPN2 | |
| SCHEMBL10963320 | 0.80 | KEAP1 (0.49) | PKMMAPTPIN1MAOBPTPN1 | |
| SCHEMBL11393217 | 0.79 | PKM (0.55) | PKMMAPTRAB9ANPC1MAOB | |
| SCHEMBL10964341 | 0.76 | MTNR1A (0.47) | MAPTRAB9ANPC1PIN1GAA | |
| SCHEMBL10966271 | 0.76 | MTNR1A (0.47) | PKMMAPTRAB9ANPC1PIN1 | |
| SCHEMBL11390178 | 0.76 | PKM (0.51) | PKMMAPTRAB9ANPC1MAOB | |
| SCHEMBL6003269 | 0.75 | PKM (0.72) | PKMMAPTRAB9ANPC1MAOB | |
| SCHEMBL11405454 | 0.75 | PKM (0.53) | PKMMAPTRAB9ANPC1MAOB | |
| SCHEMBL10965545 | 0.73 | MTNR1A (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0159964-A2 | 3-Substituted thiopyrone | CIBA-GEIGY AG (CH) | 1985-10-30 | — | — | EP | claimed |
| 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 |