Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.39 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.39 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.39 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL20135340 | 0.89 | HTR2C (0.48) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| Water SCHEMBL21518342 | 0.88 | HTR2C (0.47) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| Water SCHEMBL30131218 | 0.87 | HTR2C (0.46) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| SCHEMBL20146352 | 0.84 | HTR2C (0.48) | HTTHTR2CSMN1; SMN2NPC1RAB9A | |
| SCHEMBL20323979 | 0.82 | HTR2C (0.46) | HTTHTR2CSMN1; SMN2NPC1RAB9A | |
| SCHEMBL20323978 | 0.80 | HTR2C (0.45) | HTTHTR2CSMN1; SMN2NPC1RAB9A | |
| SCHEMBL21538653 | 0.80 | HTR2C (0.46) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| Water SCHEMBL30681141 | 0.78 | HTR2C (0.44) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| Water SCHEMBL29540217 | 0.78 | HTR2C (0.44) | HTR2CSMN1; SMN2NPC1RAB9ACACNA1G | |
| SCHEMBL20146330 | 0.77 | HTR2C (0.48) | HTTHTR2CSMN1; SMN2NPC1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321271-A1 | METHOD FOR PRODUCING 7H-PYRROLO[2, 3-D]PYRIMIDINE DERIVATIVE AND INTERMEDIATE THEREOF | Japan Tobacco, Inc. (JP) | 2018-05-16 | — | — | EP | disclosed |