Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | GRM5 | P41594 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.49 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.49 |
| ▸ | ACACB | O00763 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1432559 | 0.87 | NLRP3 (0.53) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| Hydrochloric Acid SCHEMBL1432557 | 0.86 | NLRP3 (0.52) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL16622212 | 0.86 | KMT2A (0.69) | ALDH1A1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL15612045 | 0.81 | PTPN11 (0.71) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL16622211 | 0.81 | KDM4E (0.45) | ALDH1A1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL18130126 | 0.80 | ALDH1A1 (0.60) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL27829449 | 0.80 | PTPN1 (0.50) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL5037396 | 0.80 | ALDH1A1 (0.57) | ALDH1A1RAB9AMEN1KMT2ANLRP3 | |
| Hydrochloric Acid SCHEMBL28790880 | 0.79 | PTPN1 (0.49) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 | |
| SCHEMBL21715154 | 0.77 | GRM5 (0.58) | IKBKBALDH1A1RAB9ASMN1; SMN2GRM5 |
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-8999989-B2 | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R-TECH UENO, LTD. (JP) | 2015-04-07 | — | — | US | disclosed |