Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 3/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.33 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL8943566 | 0.85 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TSHRF2HDAC1 | |
| SCHEMBL4461274 | 0.85 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRNQO2F2 | |
| SCHEMBL7439248 | 0.84 | MEN1 (0.46) | ALDH1A1CYP3A4TSHRF2HDAC1 | |
| SCHEMBL8711286 | 0.83 | MIF (0.35) | CYP3A4NQO2F2ADRB2ADRB1 | |
| SCHEMBL10892391 | 0.82 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRNQO2F2 | |
| SCHEMBL5648495 | 0.81 | ITGB1 (0.48) | ALDH1A1CYP3A4TSHRNQO2F2 | |
| SCHEMBL7437218 | 0.80 | MEN1 (0.38) | ALDH1A1NQO2F2MTNR1AMTNR1B | |
| SCHEMBL8707172 | 0.78 | MT-CO2 (0.35) | ALDH1A1TSHRHDAC1HDAC6ITGB1 | |
| SCHEMBL9222980 | 0.76 | KCNQ4 (0.41) | HDAC1HDAC8HDAC6ADRB2ADRB1 | |
| SCHEMBL8712805 | 0.75 | KDM4E (0.40) | ALDH1A1CYP3A4TSHR |
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-5532353-A | Process for the preparation of halogenated β-lactam compounds | BIOCHIMICA OPOS SPA (IT) | 1996-07-02 | — | — | US | disclosed |
| EP-0570058-A2 | Process for the preparation of halogenated beta-lactam compounds | BIOCHIMICA OPOS SPA (IT) | 1993-11-18 | — | — | EP | disclosed |