Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.37 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 2/20 | 0.32 |
| ▸ | MMP3 | P08254 | 2/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.32 |
| ▸ | MMP1 | P03956 | 1/20 | 0.32 |
| ▸ | MMP7 | P09237 | 1/20 | 0.32 |
| ▸ | MMP8 | P22894 | 1/20 | 0.32 |
| ▸ | MMP14 | P50281 | 1/20 | 0.32 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.32 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7140452 | 1.00 | ALDH1A1 (0.38) | ALDH1A1MAPTGAAPSIP1CRBN | |
| SCHEMBL6533518 | 0.69 | ALDH1A1 (0.35) | ALDH1A1MAPTKDM4EKMT2A | |
| SCHEMBL7143484 | 0.69 | MEN1 (0.30) | MAPTGAAKMT2A | |
| SCHEMBL7144459 | 0.68 | BCHE (0.33) | KDM4EKMT2ASMN1; SMN2HSD17B10 | |
| SCHEMBL7146583 | 0.68 | — | — | |
| SCHEMBL7146587 | 0.68 | — | — | |
| SCHEMBL28095465 | 0.67 | BCHE (0.32) | KDM4EHSD17B10 | |
| SCHEMBL27886608 | 0.65 | NPSR1 (0.39) | ALDH1A1KMT2A | |
| SCHEMBL7138440 | 0.64 | PRCP (0.38) | ALDH1A1MAPTGAAKDM4EKMT2A | |
| SCHEMBL30094463 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0966464-B1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | BASILEA PHARMACEUTICA AG (CH) | 2003-05-28 | — | — | EP | disclosed |
| US-6114330-A | BACTERICIDES | HOFFMANN-LA ROCHE INC. (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0966464-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1999-12-29 | — | — | EP | disclosed |
| WO-1998039328-A1 | SUBSTITUTED 2,4-DIAMINOPYRIMIDINES | F.HOFFMANN-LA ROCHE AG (CH) | 1998-09-11 | — | — | WO | disclosed |