Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 3/20 | 0.68 |
| ▸ | AHR | P35869 | 1/20 | 0.55 |
| ▸ | MARS1 | P56192 | 7/20 | 0.54 |
| ▸ | ALPL | P05186 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.45 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Biguanide SCHEMBL8619381 | 0.87 | SRD5A2 (0.54) | SRD5A2AHRMARS1ALPLSMN1; SMN2 | |
| SCHEMBL444367 | 0.85 | SRD5A2 (0.90) | SRD5A2MARS1SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL442436 | 0.84 | SRD5A2 (0.62) | SRD5A2MARS1NPC1RAB9A | |
| SCHEMBL2408930 | 0.80 | CA1 (0.56) | SRD5A2SMN1; SMN2TSHRALDH1A1TP53 | |
| SCHEMBL2908235 | 0.80 | NOTUM (0.66) | SRD5A2AHRMARS1ALPLSMN1; SMN2 | |
| SCHEMBL30069186 | 0.80 | NOTUM (0.66) | SRD5A2AHRMARS1ALPLSMN1; SMN2 | |
| SCHEMBL15124553 | 0.79 | CYP2A6 (0.54) | ALPLSMN1; SMN2TSHRALDH1A1KDM4E | |
| SCHEMBL3653446 | 0.79 | MARS1 (0.49) | SRD5A2AHRMARS1ALPLSMN1; SMN2 | |
| SCHEMBL358511 | 0.78 | SRD5A2 (0.48) | SRD5A2MARS1ALPLSMN1; SMN2KDM4E | |
| SCHEMBL2715026 | 0.78 | SRD5A2 (0.48) | SRD5A2MARS1ALPLSMN1; SMN2KDM4E |
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 |