Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 4/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL20042726 | 0.85 | PKM (0.45) | PKMP2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042862 | 0.84 | HPGD (0.48) | P2RX7ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL20042920 | 0.83 | GRM5 (0.41) | P2RX7GRM5HSP90AA1HTR1A | |
| SCHEMBL20042771 | 0.83 | P2RX7 (0.47) | PKMP2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042737 | 0.77 | P2RX7 (0.44) | PKMP2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042732 | 0.77 | P2RX7 (0.44) | PKMP2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042739 | 0.77 | P2RX7 (0.44) | PKMP2RX7GRM5CYP1A2CYP3A4 | |
| SCHEMBL20042946 | 0.76 | HPGD (0.46) | P2RX7GRM5ALDH1A1L3MBTL1KDM4E | |
| SCHEMBL20042734 | 0.74 | P2RX7 (0.47) | P2RX7GRM5ALDH1A1HPGD | |
| SCHEMBL20042824 | 0.71 | PROKR1 (0.40) | KMT2AMAPTPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |