Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | FDPS | P14324 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL10071819 | 0.80 | KDM4E (0.45) | CYP2A6ALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL15659545 | 0.79 | CYP2A6 (0.41) | CYP2A6ALDH1A1ALDH1A3TAAR1TSHR | |
| SCHEMBL7125837 | 0.79 | CYP2A6 (0.44) | CYP2A6ALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL12660191 | 0.77 | AKR1C3 (0.50) | ALDH1A1PTGS2HTTSMN1; SMN2NPSR1 | |
| SCHEMBL459336 | 0.77 | TAAR1 (0.59) | ALDH1A1TAAR1KDM4ERAB9AHSD17B10 | |
| SCHEMBL10521945 | 0.77 | TAAR1 (0.59) | ALDH1A1TAAR1KDM4ERAB9AHSD17B10 | |
| SCHEMBL4367756 | 0.76 | KDM4E (0.42) | CYP2A6ALDH1A1ALDH1A3TSHRKDM4E | |
| SCHEMBL27835934 | 0.74 | CYP3A4 (0.39) | TAAR1TSHR | |
| SCHEMBL7120865 | 0.74 | ALDH1A1 (0.40) | CYP2A6ALDH1A1ALDH1A3TAAR1TSHR | |
| SCHEMBL29226090 | 0.74 | TAAR1 (0.34) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2447775-A1 | Resist underlayer film composition and patterning process using the same | Shin-Etsu Chemical Co., Ltd. (JP) | 2012-05-02 | — | — | EP | disclosed |