Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 3/20 | 0.77 |
| ▸ | RAB9A | P51151 | 12/20 | 0.71 |
| ▸ | NPC1 | O15118 | 11/20 | 0.71 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.71 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.71 |
| ▸ | TP53 | P04637 | 3/20 | 0.71 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.71 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.68 |
| ▸ | ACP1 | P24666 | 1/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | STAT1 | P42224 | 1/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.60 |
| ▸ | APEX1 | P27695 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | CLK1 | P49759 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.57 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL14113317 | 0.87 | DYRK1A (0.74) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL22208435 | 0.87 | RAB9A (0.76) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14189674 | 0.85 | PTPN1 (0.61) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8689148 | 0.83 | NPC1 (1.00) | RAB9ANPC1SMN1; SMN2ALDH1A1TP53 | |
| SCHEMBL14189669 | 0.83 | RAB9A (0.74) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11161571 | 0.83 | KMT2A (0.73) | RAB9ANPC1SMN1; SMN2ALDH1A1DYRK1A | |
| SCHEMBL7662743 | 0.83 | RAB9A (0.63) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL17090573 | 0.83 | LCK (0.69) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL29506738 | 0.83 | LCK (0.69) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL14189676 | 0.82 | CLK1 (0.58) | PTPN1RAB9ANPC1SMN1; SMN2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7659404-B2 | Broad spectrum 2-(substituted-amino)-benzothiazole sulfonamide HIV protease inhibitors | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2010-02-09 | — | — | US | disclosed |