Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | NNMT | P40261 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.39 |
| ▸ | PARP4 | Q9UKK3 | 2/20 | 0.39 |
| ▸ | PARP15 | Q460N3 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PARP14 | Q460N5 | 1/20 | 0.39 |
| ▸ | PARP16 | Q8N5Y8 | 1/20 | 0.39 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL6892495 | 0.79 | CA2 (0.45) | CA2NNMTCA1CA12CA9 | |
| SCHEMBL16217150 | 0.77 | CA1 (0.47) | CA2CA1CA12CA9CA14 | |
| Potassium Ion SCHEMBL30884945 | 0.76 | CA2 (0.42) | CA2NNMTCA1CA12CA9 | |
| SCHEMBL4384975 | 0.75 | NNMT (0.50) | CA2NNMTCA1CA12CA9 | |
| Iodide SCHEMBL11257085 | 0.73 | NNMT (0.48) | CA2NNMTCA1CA12CA9 | |
| Water SCHEMBL11262505 | 0.73 | NNMT (0.48) | CA2NNMTCA1CA12CA9 | |
| Hydrochloric Acid SCHEMBL11270858 | 0.73 | NNMT (0.48) | CA2NNMTCA1CA12CA9 | |
| Iodide SCHEMBL11262176 | 0.69 | ALDH1A1 (0.44) | CA2NNMTCA1CA12CA9 | |
| Iodide SCHEMBL11258786 | 0.68 | L3MBTL1 (0.45) | CA2NNMTACHETSHRSMN1; SMN2 | |
| Iodide SCHEMBL11261777 | 0.68 | NPC1 (0.40) | CA2NNMTACHETSHRSMN1; SMN2 |
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-4141977-A | Treatment of psoriasis with 6-substituted nicotinamides, 2-substituted pyrazinamides and closely related compounds | YU RUEY J | 1979-02-27 | — | — | US | claimed |
| US-4141977-A | Treatment of psoriasis with 6-substituted nicotinamides, 2-substituted pyrazinamides and closely related compounds | YU RUEY J | 1979-02-27 | — | — | US | disclosed |