Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.44 |
| ▸ | RPA1 | P27694 | 1/20 | 0.44 |
| ▸ | DHODH | Q02127 | 4/20 | 0.43 |
| ▸ | ICMT | O60725 | 1/20 | 0.43 |
| ▸ | ERCC1 | P07992 | 1/20 | 0.41 |
| ▸ | ERCC4 | Q92889 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | RXRA | P19793 | 2/20 | 0.40 |
| ▸ | RXRB | P28702 | 2/20 | 0.40 |
| ▸ | ACLY | P53396 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779130 | 0.87 | KMO (0.55) | KMOCASP1RPA1DHODHICMT | |
| Biguanide SCHEMBL8614462 | 0.81 | TPMT (0.52) | KMODHODHRXRARXRB | |
| Biguanide SCHEMBL8619381 | 0.77 | SRD5A2 (0.54) | CASP1DHODHNPC1RAB9A | |
| SCHEMBL3643412 | 0.76 | RXRA (0.61) | KMORPA1ERCC1ERCC4RXRA | |
| Hydrochloric Acid SCHEMBL8505392 | 0.73 | KCNQ3 (0.48) | NPC1RAB9A | |
| SCHEMBL8297932 | 0.71 | MAP4K4 (0.54) | KMOCASP1RPA1ICMTERCC1 | |
| Isophthalic Acid SCHEMBL27991768 | 0.69 | CA1 (0.50) | KMO | |
| SCHEMBL30308290 | 0.69 | TSHR (0.65) | KMORPA1NPC1RAB9ARXRA | |
| SCHEMBL109599 | 0.69 | TSHR (0.65) | KMORPA1NPC1RAB9ARXRA | |
| SCHEMBL16608990 | 0.68 | RPA1 (0.58) | KMOCASP1RPA1DHODHERCC1 |
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-5731350-A | Substituted benzenedicarboxylic acid diguanides, process for their preparation, their use as a medicament or diagnostic, and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | claimed |
| US-5731350-A | Substituted benzenedicarboxylic acid diguanides, process for their preparation, their use as a medicament or diagnostic, and medicament containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-03-24 | — | — | US | disclosed |