Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 3/20 | 0.55 |
| ▸ | RPA1 | P27694 | 1/20 | 0.54 |
| ▸ | RXRA | P19793 | 2/20 | 0.50 |
| ▸ | RXRB | P28702 | 2/20 | 0.50 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.50 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.45 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.45 |
| ▸ | TPMT | P51580 | 1/20 | 0.45 |
| ▸ | MARS1 | P56192 | 1/20 | 0.45 |
| ▸ | ICMT | O60725 | 1/20 | 0.45 |
| ▸ | ACLY | P53396 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3643412 | 0.87 | RXRA (0.61) | KMORPA1RXRARXRBERCC1 | |
| Biguanide SCHEMBL8617033 | 0.87 | KMO (0.45) | KMORPA1RXRARXRBERCC1 | |
| SCHEMBL30308290 | 0.79 | TSHR (0.65) | KMORPA1RXRARXRBKDM4E | |
| SCHEMBL109599 | 0.79 | TSHR (0.65) | KMORPA1RXRARXRBKDM4E | |
| SCHEMBL16608990 | 0.79 | RPA1 (0.58) | KMORPA1ERCC1ERCC4CASP1 | |
| SCHEMBL11693280 | 0.78 | AKR1C2 (0.66) | KMORPA1ERCC1ERCC4CASP1 | |
| Hydrochloric Acid SCHEMBL7105574 | 0.77 | TSHR (0.63) | KMORPA1RXRARXRBKDM4E | |
| SCHEMBL3979148 | 0.76 | ACMSD (0.59) | KMORPA1ERCC1ERCC4KDM4E | |
| SCHEMBL15814719 | 0.76 | DHODH (0.69) | KMORXRARXRBDHODH | |
| SCHEMBL16488615 | 0.76 | DHODH (0.69) | KMORXRARXRBDHODH |
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 |
|---|---|---|---|---|---|---|---|
| EP-0774457-A1 | Substituted benzodicarboxylic acid diguanidines, process for their preparation, and their use as medicament or diagnostic agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-05-21 | — | — | EP | disclosed |