Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.57 |
| ▸ | RAB9A | P51151 | 5/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.54 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.54 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27567288 | 0.86 | ALDH1A1 (0.65) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL8050601 | 0.81 | SMN1; SMN2 (0.61) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL3284981 | 0.80 | SMN1; SMN2 (0.60) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL3287757 | 0.75 | SMN1; SMN2 (0.53) | SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15 | |
| SCHEMBL6172641 | 0.75 | TP53 (0.61) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL3284300 | 0.75 | SMN1; SMN2 (0.50) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL809829 | 0.73 | RAB9A (1.00) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| Hydrogen Sulfide SCHEMBL11606123 | 0.72 | RAB9A (0.97) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR | |
| SCHEMBL5767716 | 0.71 | SMN1; SMN2 (0.59) | SMN1; SMN2RAB9ANPC1ALDH1A1ALOX15 | |
| SCHEMBL1655993 | 0.71 | APP (0.68) | SMN1; SMN2RAB9ANPC1ALDH1A1TSHR |
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-6130217-A | ANTITUMOR | PFIZER INC (US) | 2000-10-10 | — | — | US | disclosed |
| WO-1994022846-A1 | COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS | PFIZER INC. (US) | 1994-10-13 | — | — | WO | disclosed |