Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 10/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 8/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.38 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | APP | P05067 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL1443507 | 0.85 | ESR1 (0.44) | ESR1ESR2KMT2A | |
| SCHEMBL28637927 | 0.84 | BRD4 (0.41) | CYP3A4BLMCYP2C9CYP2C19HSD17B10 | |
| SCHEMBL2429212 | 0.82 | ESR1 (0.42) | SRCESR1ESR2PDCD1CD274 | |
| SCHEMBL1448846 | 0.82 | ESR1 (0.42) | SRCESR1ESR2PDCD1CD274 | |
| SCHEMBL28656346 | 0.81 | NPSR1 (0.46) | ALDH1A1TDP1CYP1A2MAPTPTGS1 | |
| SCHEMBL17764981 | 0.81 | NR1H2 (0.40) | ALDH1A1CYP2C9CYP2C19LMNACYP1A2 | |
| SCHEMBL17764980 | 0.81 | NR1H2 (0.40) | ALDH1A1CYP2C9CYP2C19LMNACYP1A2 | |
| SCHEMBL7647994 | 0.78 | NPY5R (0.46) | ESR1ESR2PDCD1CD274CYP3A4 | |
| SCHEMBL16633588 | 0.78 | ESR1 (0.43) | ESR1ESR2PDCD1CD274CYP3A4 | |
| SCHEMBL10822196 | 0.78 | ESR1 (0.34) | SRCESR1ESR2PDCD1CD274 |
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-4604386-A | CONTROL OF GRAMPOSITIVE BACTERIA | ELI LILLY AND COMPANY (US) | 1986-08-05 | — | — | US | disclosed |
| EP-0168222-A2 | 3-(Alkynylalkyloxy) Cephalosporins | ELI LILLY AND COMPANY (US) | 1986-01-15 | — | — | EP | disclosed |