Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR5 | P51681 | 11/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9522440 | 0.88 | TDP1 (0.38) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9519220 | 0.87 | ALDH1A1 (0.37) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9794980 | 0.86 | TDP1 (0.36) | CCR5ALDH1A1MAPTHPGDFAAH | |
| SCHEMBL9794953 | 0.85 | ALDH1A1 (0.39) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9795068 | 0.85 | CCR5 (0.36) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9519224 | 0.84 | ALDH1A1 (0.37) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9136917 | 0.83 | DPP8 (0.39) | CCR5ALDH1A1MAPTHPGDFAAH | |
| SCHEMBL9795094 | 0.83 | ALDH1A1 (0.37) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9520276 | 0.83 | ALDH1A1 (0.37) | CCR5ALDH1A1MAPTHPGDTDP1 | |
| SCHEMBL9795060 | 0.83 | ECE1 (0.37) | CCR5ALDH1A1MAPTHPGDFAAH |
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-4983596-A | Microbiocides; for treatment of infectious diseases | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1991-01-08 | — | — | US | disclosed |
| EP-0341557-A1 | 3-pyrrolidinylthio-1-azabicyclo(3.2.0)-hept-2-ene-2-carboxylic acid derivatives and their preparation | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1989-11-15 | — | — | EP | disclosed |