Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.61 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | DHFR | P00374 | 1/20 | 0.54 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.45 |
| ▸ | HRH1 | P35367 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.45 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.45 |
| ▸ | REV1 | Q9UBZ9 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13226236 | 0.87 | MEN1 (0.60) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL6772037 | 0.84 | MEN1 (0.60) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL14853095 | 0.84 | MEN1 (0.60) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL14135200 | 0.83 | MEN1 (0.59) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL21065437 | 0.81 | MEN1 (0.56) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL14123348 | 0.81 | KMT2A (0.56) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL6766529 | 0.79 | RAB9A (0.54) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL19475611 | 0.79 | MEN1 (0.60) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL17985055 | 0.79 | KMT2A (0.67) | MEN1KMT2ANPC1RAB9ADHFR | |
| SCHEMBL29448370 | 0.79 | MEN1 (0.60) | MEN1KMT2ANPC1RAB9ADHFR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113880866-B | Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-113880866-A | Aza-tetrahydronaphthyridine compound, preparation method thereof, pharmaceutical composition and application thereof | 上海维申医药有限公司 | 2022-01-04 | — | — | CN | disclosed |
| CN-107207532-A | Nitroimidazole derivatives against tuberculosis | 南京明德新药研发股份有限公司 | 2017-09-26 | — | — | CN | disclosed |