Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.57 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.44 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | HRH1 | P35367 | 1/20 | 0.44 |
| ▸ | DRD3 | P35462 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 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 | |
|---|---|---|---|---|
| SCHEMBL28720471 | 0.91 | CA2 (0.69) | CA2CA1CYP3A4SLC1A2SLC1A1 | |
| SCHEMBL28875587 | 0.89 | CA2 (0.61) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL21182210 | 0.89 | CA1 (0.48) | CA2CA1CHRM1AKR1A1CHRM3 | |
| Palmitamide SCHEMBL16398674 | 0.88 | CA2 (0.55) | CA2CA1TDP1CYP3A4TSHR | |
| SCHEMBL8574815 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL27350977 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL27771736 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL27505479 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL10760852 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 | |
| SCHEMBL27831238 | 0.88 | CA2 (0.59) | CA2CA1CYP3A4NFKB1SLC1A2 |
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-4981827-A | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-01 | — | — | US | disclosed |
| EP-0323082-A2 | Catalysts | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-07-05 | — | — | EP | disclosed |