Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | PRKDC | P78527 | 1/20 | 0.47 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | LGMN | Q99538 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1164065 | 0.98 | CYP2A13 (0.49) | CYP2A13MAPTGAASMN1; SMN2PRKDC | |
| SCHEMBL12875592 | 0.85 | CYP2A13 (0.51) | CYP2A13MAPTGAASMN1; SMN2PRKDC | |
| SCHEMBL2478242 | 0.85 | ALDH1A1 (0.53) | PLA2G7MGLLABHD6KMT2AALDH1A1 | |
| SCHEMBL27438244 | 0.81 | HTR3A (0.55) | ALDH1A1TP53HTTCYP1A2CYP3A4 | |
| SCHEMBL2957171 | 0.81 | CCR5 (0.52) | MAPTGAASMN1; SMN2PRKDCMGLL | |
| SCHEMBL15831849 | 0.81 | PRKDC (0.47) | MAPTGAASMN1; SMN2PRKDCP2RX7 | |
| SCHEMBL12215769 | 0.81 | P2RX7 (0.47) | MAPTGAASMN1; SMN2P2RX7ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2528377 | 0.79 | P2RX7 (0.46) | MAPTGAASMN1; SMN2P2RX7ALDH1A1 | |
| SCHEMBL2526668 | 0.77 | LMNA (0.62) | GAASMN1; SMN2MGLLABHD6ALDH1A1 | |
| SCHEMBL15093761 | 0.77 | CYP2A13 (0.57) | CYP2A13PRKDCPLA2G7MGLLABHD6 |
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-2011021645-A1 | BICYCLIC UREA DERIVATIVE OR PHARMACOLOGICALLY PERMITTED SALT THEREOF | 大日本住友製薬株式会社 (JP) | 2011-02-24 | — | — | WO | disclosed |