Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 8/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25409612 | 0.85 | XDH (0.47) | XDHCYP1A2CYP2C9RAB9AALDH1A1 | |
| SCHEMBL11078365 | 0.80 | DRD2 (0.52) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL11378138 | 0.79 | ESR1 (0.38) | CYP1A2CYP2C9RAB9AALDH1A1NPC1 | |
| SCHEMBL21863405 | 0.79 | ALDH1A1 (0.46) | CYP1A2CYP2C9RAB9AALDH1A1NPC1 | |
| SCHEMBL25260439 | 0.78 | MAPK1 (0.43) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| Bromide SCHEMBL11376966 | 0.76 | XDH (0.47) | XDHCYP1A2CYP2C9RAB9AALDH1A1 | |
| SCHEMBL11398893 | 0.76 | NPC1 (0.32) | RAB9AALDH1A1NPC1SMN1; SMN2MAPT | |
| SCHEMBL4209751 | 0.73 | ALDH1A1 (0.62) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E | |
| SCHEMBL3758367 | 0.73 | MAPT (0.47) | XDHRAB9AALDH1A1NPC1KDM4E | |
| SCHEMBL11389096 | 0.71 | OXTR (0.51) | RAB9AALDH1A1NPC1SMN1; SMN2KDM4E |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4268680-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-05-19 | — | — | US | disclosed |
| US-4244964-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1981-01-13 | — | — | US | disclosed |
| US-4232034-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1980-11-04 | — | — | US | disclosed |
| US-4229581-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4229460-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 1980-10-21 | — | — | US | disclosed |
| US-4160841-A | FUNGICIDES, BACTERICIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1979-07-10 | — | — | US | disclosed |