Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | MAP1LC3B | Q9GZQ8 | 2/20 | 0.46 |
| ▸ | MAP1LC3A | Q9H492 | 2/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.45 |
| ▸ | CBR1 | P16152 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | ESR1 | P03372 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8439784 | 0.87 | ESR2 (0.52) | SMN1; SMN2NPC1RAB9AMAP1LC3BMAP1LC3A | |
| SCHEMBL8439795 | 0.82 | LRRK2 (0.52) | SMN1; SMN2MAOBKDM4EALDH1A1HPGD | |
| SCHEMBL9209466 | 0.78 | MAOB (0.60) | TSHRNPC1RAB9AMAOBMEN1 | |
| SCHEMBL8441466 | 0.76 | ESR2 (0.49) | SMN1; SMN2NPC1RAB9AMAP1LC3BMAP1LC3A | |
| SCHEMBL15413700 | 0.72 | ESR2 (0.57) | SMN1; SMN2ESR2MAOBKDM4EESR1 | |
| SCHEMBL9202075 | 0.69 | NQO1 (0.53) | NPC1RAB9ACTDSP1MAP1LC3BMAP1LC3A | |
| SCHEMBL6830085 | 0.69 | ESR2 (0.68) | SMN1; SMN2ESR2KDM4EESR1ALDH1A1 | |
| SCHEMBL14445577 | 0.68 | RAB9A (0.46) | TSHRSMN1; SMN2NPC1RAB9AMEN1 | |
| SCHEMBL19019872 | 0.67 | MAP1LC3B (0.67) | MAP1LC3BMAP1LC3AESR2MAOBHTT | |
| SCHEMBL9203879 | 0.66 | NQO1 (0.49) | NPC1RAB9ACTDSP1MAOBMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5985912-A | COUMARONE COMPOUNDS AS BACTERICIDES | PFIZER INC. (US) | 1999-11-16 | — | — | US | disclosed |
| US-5624951-A | 4-hydroxy coumarin derivatives with antibacterial activity | PFIZER INC. (US) | 1997-04-29 | — | — | US | disclosed |