Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.48 |
| ▸ | PBK | Q96KB5 | 6/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | ACP1 | P24666 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMYD3 | Q9H7B4 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| Mandelic Acid SCHEMBL8716949 | 1.00 | KMT2A (0.50) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| Mandelic Acid SCHEMBL7303904 | 1.00 | KMT2A (0.50) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| Mandelic Acid SCHEMBL7297870 | 1.00 | KMT2A (0.50) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| Mandelic Acid SCHEMBL8716945 | 1.00 | KMT2A (0.50) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| SCHEMBL8719970 | 0.89 | KMT2A (0.60) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| SCHEMBL2423748 | 0.89 | KMT2A (0.60) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| SCHEMBL8719751 | 0.89 | KMT2A (0.60) | KMT2ACHEK1PBKNAMPTSMN1; SMN2 | |
| SCHEMBL13325386 | 0.81 | NAMPT (0.63) | KMT2ANAMPTSMN1; SMN2ACP1HPGD | |
| SCHEMBL5094284 | 0.81 | NAMPT (0.63) | KMT2ANAMPTSMN1; SMN2ACP1HPGD | |
| SCHEMBL13325381 | 0.81 | NAMPT (0.63) | KMT2ANAMPTSMN1; SMN2ACP1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0559046-B1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| EP-0559046-A1 | N-amidinopiperidinyl(3/4)- or N-amidino-1,4-Oxazinyl(2)-substituted sulfonamides, process for their preparation and use as thrombin inhibitors | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-09-08 | — | — | EP | disclosed |