Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20198672 | 1.00 | P2RX7 (0.41) | P2RX7TSHRKDM4ECYP3A4MAPT | |
| SCHEMBL15824244 | 0.82 | DPP4 (0.43) | P2RX7TSHRCYP3A4MAPTSLC6A4 | |
| SCHEMBL5172588 | 0.82 | CD274 (0.46) | P2RX7TSHRKDM4ECYP3A4MAPT | |
| Hydrochloric Acid SCHEMBL11670074 | 0.81 | P2RX7 (0.46) | P2RX7TSHRKDM4ECYP3A4MAPT | |
| SCHEMBL9954933 | 0.80 | DPP4 (0.44) | P2RX7TSHRCYP3A4MAPTSSTR3 | |
| SCHEMBL28546236 | 0.79 | MAOA (0.45) | TSHRCYP3A4MAPT | |
| SCHEMBL19437471 | 0.79 | P2RX7 (0.42) | P2RX7TSHRALDH1A1ADRB2HTT | |
| SCHEMBL29074608 | 0.78 | MAOA (0.44) | TSHRCYP3A4MAPT | |
| SCHEMBL27893441 | 0.78 | KDM4E (0.42) | TSHRKDM4ECYP3A4MAPTSSTR3 | |
| SCHEMBL7434481 | 0.78 | PPID (0.53) | P2RX7KDM4ECYP3A4MAPTALDH1A1 |
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-3327603-B1 | METHOD AND DEVICE FOR CALCULATING ACID DISSOCIATION CONSTANT, AND PROGRAM | FUJITSU LTD (JP) | 2021-08-11 | — | — | EP | disclosed |