Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.54 |
| ▸ | ALPL | P05186 | 3/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CRHBP | P24387 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.44 |
| ▸ | MARS1 | P56192 | 3/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | BCL2L1 | Q07817 | 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 | |
|---|---|---|---|---|
| SCHEMBL8779218 | 0.87 | SRD5A2 (0.68) | SRD5A2ALPLSMN1; SMN2KDM4ENPC1 | |
| Biguanide SCHEMBL8614462 | 0.79 | TPMT (0.52) | DHODH | |
| Biguanide SCHEMBL8617033 | 0.77 | KMO (0.45) | NPC1RAB9ACASP1DHODH | |
| SCHEMBL444367 | 0.74 | SRD5A2 (0.90) | SRD5A2SMN1; SMN2KDM4ENPC1CRHBP | |
| SCHEMBL442436 | 0.73 | SRD5A2 (0.62) | SRD5A2NPC1RAB9AMARS1SHMT1 | |
| SCHEMBL358511 | 0.70 | SRD5A2 (0.48) | SRD5A2ALPLSMN1; SMN2KDM4ENPC1 | |
| Isophthalic Acid SCHEMBL27991768 | 0.70 | CA1 (0.50) | TSHR | |
| SCHEMBL2408930 | 0.69 | CA1 (0.56) | SRD5A2SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL2908235 | 0.69 | NOTUM (0.66) | SRD5A2ALPLSMN1; SMN2MARS1AHR | |
| SCHEMBL30069186 | 0.69 | NOTUM (0.66) | SRD5A2ALPLSMN1; SMN2MARS1AHR |
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 |