Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S100B | P04271 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL709437 | 0.86 | CYP2C9 (0.36) | S100BALDH1A1SMN1; SMN2MAPTPTGS2 | |
| SCHEMBL7763844 | 0.79 | S100B (0.49) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL12534124 | 0.79 | S100B (0.49) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL11294036 | 0.76 | ASF1A (0.40) | ALDH1A1NOS3SMN1; SMN2NPC1MAPT | |
| SCHEMBL22340706 | 0.76 | S100B (0.38) | S100BALDH1A1NOS3SMN1; SMN2HTR3E | |
| SCHEMBL6560170 | 0.76 | S100B (0.46) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL21565112 | 0.75 | S100B (0.49) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL12616347 | 0.73 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL9640860 | 0.73 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 | |
| SCHEMBL12617752 | 0.73 | CA12 (0.55) | S100BALDH1A1ACHECA12CA2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0690856-B1 | ANTI-TUMOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, METHODS FOR PREPARATION THEREOF AND FOR TREATMENT | UNIV NEW YORK STATE RES FOUND (US) | 2002-12-04 | — | — | EP | disclosed |
| US-5705508-A | FORMING TAXOL DERIVATIVES | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1998-01-06 | — | — | US | disclosed |
| US-5599820-A | Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1997-02-04 | — | — | US | disclosed |
| US-5475011-A | Anti-tumor compounds, pharmaceutical compositions, methods for preparation thereof and for treatment | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 1995-12-12 | — | — | US | disclosed |
| US-5294737-A | Hydrolysis, cyclization, condensation | THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) | 1994-03-15 | — | — | US | disclosed |