Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | DRD3 | P35462 | 2/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.35 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL11819332 | 0.91 | HTR2C (0.38) | KDM4EGAATDP1MEN1KMT2A | |
| SCHEMBL11824965 | 0.88 | DRD3 (0.44) | NOTUMMEN1KMT2ADRD3SIGMAR1 | |
| SCHEMBL11819674 | 0.88 | DRD2 (0.46) | NOTUMKDM4EDRD3AADATSIGMAR1 | |
| SCHEMBL11821601 | 0.86 | MTNR1A (0.49) | NOTUMKMT2AMTNR1AMTNR1B | |
| SCHEMBL11824571 | 0.85 | NOTUM (0.42) | NOTUMKDM4EGAAMEN1KMT2A | |
| SCHEMBL11820429 | 0.85 | SIGMAR1 (0.49) | MEN1KMT2ADRD3SIGMAR1MTNR1A | |
| SCHEMBL11822276 | 0.82 | DRD2 (0.44) | MEN1KMT2AAADATALDH1A1MAPT | |
| SCHEMBL11824590 | 0.81 | HTR2A (0.44) | NOTUMKDM4ETDP1MEN1KMT2A | |
| SCHEMBL11824150 | 0.81 | DRD3 (0.41) | DRD3SIGMAR1CHRM2CHRM3POLB | |
| SCHEMBL11820020 | 0.79 | HTR2C (0.43) | GAAMEN1KMT2AAADATMTNR1A |
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-3980797-A | Hexahydro-diazepino-indole derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1976-09-14 | — | — | US | disclosed |