Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PRKDC | P78527 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | IKBKB | O14920 | 4/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.36 |
| ▸ | TACR1 | P25103 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | GBA1 | P04062 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1399406 | 0.76 | MAPT (0.49) | ALDH1A1HPGDIKBKBTACR1KDM4E | |
| SCHEMBL4374050 | 0.72 | CYP1A2 (0.43) | ALDH1A1TACR1TSHRCYP1A2 | |
| SCHEMBL30572211 | 0.71 | NNMT (0.45) | ALDH1A1HPGDIKBKBKDM4EHSD17B10 | |
| SCHEMBL905377 | 0.70 | TACR1 (0.45) | TACR1CYP1A2 | |
| SCHEMBL4374612 | 0.69 | TACR1 (0.43) | ALDH1A1TACR1MAPT | |
| SCHEMBL4374064 | 0.68 | CYP1A2 (0.41) | ALDH1A1TACR1HSD17B10TSHRCYP1A2 | |
| SCHEMBL17476483 | 0.67 | ALDH1A1 (0.43) | PRKDCALDH1A1HPGDIKBKBTACR1 | |
| SCHEMBL23277178 | 0.67 | IKBKB (0.56) | POLBIKBKBKDM4E | |
| SCHEMBL3095284 | 0.67 | IKBKB (0.56) | ALDH1A1HPGDPOLBIKBKBKDM4E | |
| SCHEMBL27473965 | 0.67 | MKNK1 (0.46) | ALDH1A1IKBKBPLA2G7TDP1HSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1303490-A1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-04-23 | — | — | EP | disclosed |
| WO-2002006236-A1 | N-OXIDES AS NK1 RECEPTOR ANTAGONIST PRODRUGS OF 4-PHENYL-PYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-01-24 | — | — | WO | disclosed |