Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL448363 | 0.87 | NPC1 (0.48) | NPC1RAB9APOLBCYP2C9MAPT | |
| SCHEMBL1794289 | 0.85 | MAPT (0.56) | NPC1RAB9APOLBCYP2C9MAPT | |
| SCHEMBL27932707 | 0.84 | SHBG (0.53) | MAPTSMN1; SMN2CA1CA2CYP3A4 | |
| SCHEMBL14666430 | 0.84 | CA1 (0.47) | NPC1RAB9APOLBCYP2C9MAPT | |
| SCHEMBL28761947 | 0.84 | ADRB2 (0.40) | NPC1RAB9AMAPTTDP1MEN1 | |
| SCHEMBL1790586 | 0.84 | CA1 (0.59) | NPC1RAB9AMAPTTDP1MEN1 | |
| SCHEMBL27870324 | 0.84 | TAAR1 (0.47) | NPC1RAB9AMAPTTDP1NPSR1 | |
| SCHEMBL27844714 | 0.84 | MAPT (0.38) | NPC1RAB9AMAPTTDP1NPSR1 | |
| SCHEMBL28577800 | 0.82 | GRIN2D (0.42) | NPC1RAB9AMAPTTDP1MEN1 | |
| SCHEMBL26303152 | 0.82 | NPC1 (0.44) | NPC1RAB9APOLBCYP2C9MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108779096-A | A kind of fluorine-substituted cyclopropylamine class compound and preparation method thereof, pharmaceutical composition and purposes | 中国科学院上海药物研究所 | 2018-11-09 | — | — | CN | disclosed |