Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.40 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SERPINE1 | P05121 | 2/20 | 0.37 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31668175 | 0.86 | TTR (0.48) | ESR1TTRPTPN1PTPN2PTPN11 | |
| SCHEMBL31668196 | 0.85 | TTR (0.51) | ESR1TTRTSHRMAPTALDH1A1 | |
| SCHEMBL8057763 | 0.82 | ESR1 (0.38) | ESR1TTRPTPN1PTPN2PTPN11 | |
| SCHEMBL8060260 | 0.81 | ESR1 (0.40) | ESR1TTRPTPN1PTPN2PTPN11 | |
| SCHEMBL8055949 | 0.81 | SERPINE1 (0.41) | ESR1TTRPTPN1PTPN2PTPN11 | |
| SCHEMBL31668207 | 0.81 | TTR (0.50) | TTRTDP1AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL6053862 | 0.76 | CYP3A4 (0.43) | TTRCYP3A4TSHRTDP1AKR1C4 | |
| SCHEMBL87887 | 0.75 | HCAR2 (0.43) | TTRCYP3A4TSHRTDP1AKR1C4 | |
| SCHEMBL1122760 | 0.75 | HCAR2 (0.43) | TTRCYP3A4TSHRTDP1AKR1C4 | |
| SCHEMBL31668182 | 0.74 | TTR (0.41) | ESR1TTRCYP3A4TSHRTDP1 |
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-5811521-A | Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates | KLUGER RONALD H (CA) | 1998-09-22 | — | — | US | claimed |
| US-5811521-A | Multifunctional crosslinking reagents for hemoglobin, and crosslinked hemoglobin conjugates | KLUGER RONALD H (CA) | 1998-09-22 | — | — | US | disclosed |