Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 4/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9616769 | 0.86 | ALDH1A1 (0.38) | MEN1KMT2AALDH1A1KDM4ETP53 | |
| SCHEMBL9153940 | 0.75 | MAOB (0.43) | NPC1RAB9ATDP1ALDH1A1KDM4E | |
| SCHEMBL9155117 | 0.74 | NPC1 (0.42) | NPC1RAB9A | |
| SCHEMBL9307949 | 0.73 | TP53 (0.39) | NPC1RAB9ATDP1MEN1KMT2A | |
| SCHEMBL9309157 | 0.71 | FPR1 (0.39) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL9153131 | 0.70 | CYP1A2 (0.43) | NPC1RAB9ATDP1MEN1KMT2A | |
| SCHEMBL9307958 | 0.69 | TP53 (0.39) | NPC1RAB9ATDP1MEN1KMT2A | |
| SCHEMBL9150777 | 0.66 | SMN1; SMN2 (0.45) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL6940744 | 0.64 | NPC1 (0.42) | NPC1RAB9A | |
| SCHEMBL13123691 | 0.64 | FTO (0.57) | NPC1RAB9ATDP1MEN1KMT2A |
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-5278186-A | Substituted with secondary amide | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1994-01-11 | — | — | US | disclosed |