Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22898323 | 0.81 | TDP1 (0.50) | CYP3A4TSHRSMN1; SMN2TDP1TP53 | |
| SCHEMBL19232083 | 0.79 | HDAC3 (0.37) | CYP3A4TSHRTDP1MAPK1KMT2A | |
| SCHEMBL19068311 | 0.77 | HTT (0.38) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL3793590 | 0.77 | CYP3A4 (0.52) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL18470537 | 0.75 | MEN1 (0.41) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL5111296 | 0.75 | PGR (0.54) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL15458194 | 0.73 | CYP3A4 (0.48) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL6470377 | 0.73 | CNR1 (0.38) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 | |
| SCHEMBL8160618 | 0.70 | GAA (0.37) | TSHRALDH1A1SMN1; SMN2TP53KMT2A | |
| SCHEMBL721823 | 0.69 | TSHR (0.52) | CYP3A4TSHRALDH1A1SMN1; SMN2TDP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9732083-B2 | Tricyclic gyrase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-15 | — | — | US | disclosed |