Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 3/20 | 0.41 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.41 |
| ▸ | TMPRSS4 | Q9NRS4 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.37 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | P4HB | P07237 | 2/20 | 0.36 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5596077 | 0.84 | ALOX15 (0.50) | CXCR2CXCR1KDM1ACYP3A4ALOX15 | |
| Trifluoroacetic Acid SCHEMBL16673835 | 0.75 | FFAR1 (0.51) | XDHSLC22A12ALDH1A1FFAR1PDK1 | |
| Trifluoroacetic Acid SCHEMBL10277553 | 0.75 | FFAR1 (0.46) | XDHSLC22A12ALDH1A1FFAR1PDK1 | |
| Trifluoroacetic Acid SCHEMBL29392220 | 0.72 | PDK1 (0.47) | XDHSLC22A12P4HBFFAR1PDK1 | |
| SCHEMBL7511048 | 0.72 | NCEH1 (0.36) | TMPRSS4PTGS2MLYCDHDAC1HDAC6 | |
| Trifluoroacetic Acid SCHEMBL27962644 | 0.72 | KDM4E (0.47) | P4HBKDM4EMLYCDHDAC1HDAC6 | |
| Benzonitrile SCHEMBL31276278 | 0.71 | TSHR (0.61) | KDM1AKDM4EALDH1A1MLYCDHDAC1 | |
| Benzonitrile SCHEMBL4052598 | 0.71 | TSHR (0.61) | KDM1AKDM4EALDH1A1MLYCDHDAC1 | |
| SCHEMBL5843660 | 0.70 | ALOX15 (0.65) | KDM1ACYP3A4ALOX15HSD17B10XDH | |
| Trifluoroacetic Acid SCHEMBL31075153 | 0.70 | LMNA (0.56) | TMPRSS4MLYCDHDAC1HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1107948-A4 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | SMITHKLINE BEECHAM (US) | 2002-01-02 | — | — | EP | disclosed |
| EP-1107948-A1 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | Smithkline Beecham (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000012468-A1 | AN IMPROVED SYNTHESIS OF 3-HYDROXY-4-AMINO-BENZONITRILE | SMITHKLINE BEECHAM CORPORATION (US) | 2000-03-09 | — | — | WO | disclosed |