Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 5/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 8/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | FNTB | P49356 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11433503 | 0.93 | HDAC3 (0.41) | HDAC3HDAC1HDAC2CCR6ABL1 | |
| SCHEMBL11431959 | 0.90 | CCR6 (0.42) | HDAC3HDAC1HDAC2CCR6KCNH2 | |
| SCHEMBL11433292 | 0.89 | TRPV1 (0.36) | HDAC3HDAC1HDAC2CCR6ABL1 | |
| SCHEMBL11441820 | 0.80 | NPC1 (0.43) | HDAC3HDAC1HDAC2CCR6NR1H2 | |
| SCHEMBL11433507 | 0.77 | HDAC3 (0.37) | HDAC3HDAC1HDAC2CCR6ABL1 | |
| Bromide SCHEMBL11433766 | 0.76 | CNR1 (0.43) | KCNH2CNR1CNR2CYP19A1 | |
| SCHEMBL11721236 | 0.76 | CYP11B1 (0.46) | CCR6KCNH2ABL1CYP19A1 | |
| SCHEMBL11433073 | 0.74 | CCR6 (0.43) | CCR6KCNH2ABL1CYP19A1 | |
| SCHEMBL11440163 | 0.74 | CYP19A1 (0.40) | CCR6KCNH2NR1H2NR1H3ABL1 | |
| Oxalic Acid SCHEMBL11437655 | 0.73 | CNR1 (0.40) | KCNH2CNR1CNR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4194899-A | HERBICIDES, FUNGICIDES, PLANT GROWTH REGULATORS | ELI LILLY AND COMPANY (US) | 1980-03-25 | — | — | US | disclosed |
| US-RE29367-E | HERBICIDES, FUNGICIDES, 5-PYRIMIDINYL | ELI LILLY AND COMPANY (US) | 1977-08-23 | — | — | US | disclosed |
| US-4002628-A | HERBICIDES, PLANT FUNGICIDES, PLANT GROWTH REGULATORS | ELI LILLY AND COMPANY (US) | 1977-01-11 | — | — | US | disclosed |
| US-3967949-A | Fluoroalkoxyphenyl-substituted nitrogen heterocycles as plant stunting agents | ELI LILLY AND COMPANY (US) | 1976-07-06 | — | — | US | disclosed |