Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.42 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | BCL2L11 | O43521 | 1/20 | 0.35 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2338290 | 0.78 | APP (0.43) | HSD17B10CA2CA1ALDH1A1P2RX1 | |
| SCHEMBL2236921 | 0.78 | AHR (0.43) | TSHRHSD17B10ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL407449 | 0.77 | TSHR (0.50) | TSHRHSD17B10CA2CA1ESR2 | |
| SCHEMBL7160560 | 0.77 | HSD17B10 (0.50) | TSHRHSD17B10CA2CA1ALDH1A1 | |
| Benzene SCHEMBL29063523 | 0.74 | ALOX5 (0.43) | CA2CA1P2RX1PTGS2CA12 | |
| SCHEMBL9861993 | 0.74 | TRPV4 (0.34) | CA2CA1TDP1CA12CA4 | |
| SCHEMBL8306324 | 0.74 | CA2 (0.48) | TSHRHSD17B10CA2CA1ALDH1A1 | |
| SCHEMBL6139748 | 0.73 | MEN1 (0.36) | CA2CA1ALDH1A1HPGDTDP1 | |
| SCHEMBL14307269 | 0.73 | ESR1 (0.44) | HSD17B10CA2CA1ESR2ESR1 | |
| SCHEMBL10963730 | 0.73 | ALDH1A1 (0.46) | TSHRHSD17B10CA2CA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004072243-A2 | MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS | ENANTA PHARMACEUTICALS, INC. (US) | 2004-08-26 | — | — | WO | disclosed |