Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.62 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.62 |
| ▸ | TSHR | P16473 | 2/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | HMGCR | P04035 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | CPT2 | P23786 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.33 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.33 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.33 |
| ▸ | BHMT | Q93088 | 3/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28001172 | 0.84 | CYP2C19 (0.50) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL804144 | 0.78 | KDM4E (0.54) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL503703 | 0.77 | TSHR (1.00) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL28324214 | 0.74 | CYP2C19 (0.65) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| T-Butylacetic Acid SCHEMBL28024820 | 0.74 | HMGCR (0.52) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL29020108 | 0.74 | TSHR (0.94) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL6412305 | 0.74 | CYP2C19 (0.50) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL11305042 | 0.74 | CYP2C19 (0.71) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL27598677 | 0.72 | HMGCR (0.44) | CYP2C19HIF1ATSHRCYP2D6HMGCR | |
| SCHEMBL9536247 | 0.71 | HMGCR (0.55) | CYP2C19HIF1ATSHRCYP2D6HMGCR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0941120-A4 | BRANCHED PEPTIDE LINKERS | BRISTOL MYERS SQUIBB CO (US) | 2004-08-18 | — | — | EP | disclosed |
| EP-0941120-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-09-15 | — | — | EP | disclosed |
| WO-1998019705-A1 | BRANCHED PEPTIDE LINKERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1998-05-14 | — | — | WO | disclosed |