Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SRR | Q9GZT4 | 2/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | XIAP | P98170 | 1/20 | 0.46 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.44 |
| ▸ | CPA1 | P15085 | 2/20 | 0.43 |
| ▸ | CPA3 | P15088 | 2/20 | 0.43 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.43 |
| ▸ | CPB1 | P15086 | 1/20 | 0.43 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.42 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4219709 | 0.81 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1 | |
| SCHEMBL180159 | 0.81 | KMT2A (0.55) | CYP1A2HSD17B10NPC1RAB9AMMP8 | |
| SCHEMBL262278 | 0.81 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1 | |
| SCHEMBL2336410 | 0.81 | SRR (0.55) | CYP1A2SRRALPIPKMPTGS1 | |
| SCHEMBL979240 | 0.81 | KMT2A (0.55) | CYP1A2HSD17B10NPC1RAB9AMMP8 | |
| SCHEMBL7046944 | 0.81 | ALDH1A1 (0.55) | CYP1A2SRRALDH1A1 | |
| SCHEMBL3980617 | 0.81 | KMT2A (0.55) | CYP1A2HSD17B10NPC1RAB9AMMP8 | |
| SCHEMBL23315725 | 0.79 | SLC7A5 (0.63) | CYP1A2SRRALPIPKMPTGS1 | |
| SCHEMBL6284464 | 0.79 | MMP8 (0.59) | CYP1A2PKMHSD17B10TRPA1NPC1 | |
| SCHEMBL1785293 | 0.79 | MMP8 (0.59) | CYP1A2PKMHSD17B10TRPA1NPC1 |
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-7202370-B2 | Semi-synthesis of taxane intermediates from 9-dihydro-13-acetylbaccatin III | CONOR MEDSYSTEMS, INC. (US) | 2007-04-10 | — | — | US | disclosed |