Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.35 |
| ▸ | HTR7 | P34969 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ALPL | P05186 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2972559 | 0.83 | ALDH1A1 (0.34) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL2971579 | 0.82 | KDM4E (0.35) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL18903074 | 0.81 | ALOX15 (0.36) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL12537716 | 0.80 | ALDH1A1 (0.41) | ALDH1A1CYP2A6MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL2972117 | 0.79 | CYP1A2 (0.34) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL2971829 | 0.79 | DHFR (0.35) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL2970659 | 0.75 | CYP1A2 (0.34) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL2970108 | 0.74 | CNR1 (0.37) | ALDH1A1CYP2A6NPC1MAPTRAB9A | |
| SCHEMBL2970854 | 0.72 | CA12 (0.33) | NPC1MAPTRAB9ASMN1; SMN2HTR1A | |
| SCHEMBL2963822 | 0.72 | CA12 (0.33) | ALDH1A1NPC1MAPTRAB9ASMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0920406-A1 | 2-SUBSTITUTED 7-HALOINDENES AND METHODS FOR SYNTHESIZING | BOULDER SCIENTIFIC COMPANY (US) | 1999-06-09 | — | — | EP | disclosed |
| EP-0920406-A4 | — | — | 1999-06-09 | — | — | EP | disclosed |
| WO-1998033752-A1 | 2-SUBSTITUTED 7-HALOINDENES AND METHODS FOR SYNTHESIZING | BOULDER SCIENTIFIC COMPANY (US) | 1998-08-06 | — | — | WO | disclosed |