Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.40 |
| ▸ | FPR2 | P25090 | 4/20 | 0.39 |
| ▸ | FPR1 | P21462 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CCR3 | P51677 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21187145 | 0.82 | FPR2 (0.39) | EPHX1ALDH1A1EPHX2FPR2FPR1 | |
| SCHEMBL21187132 | 0.81 | MAOA (0.48) | EPHX1ALDH1A1SMN1; SMN2EPHX2FPR2 | |
| SCHEMBL20838641 | 0.75 | IDO1 (0.55) | ALDH1A1MAPK10SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17737014 | 0.75 | IDO1 (0.55) | ALDH1A1MAPK10SMN1; SMN2NPC1RAB9A | |
| SCHEMBL21187144 | 0.72 | NPC1 (0.47) | NPC1RAB9A | |
| SCHEMBL6154851 | 0.72 | HDAC3 (0.51) | ALDH1A1NPC1RAB9A | |
| SCHEMBL3233608 | 0.70 | GRIN2B (0.47) | EPHX1NPC1RAB9A | |
| SCHEMBL3233615 | 0.70 | GRIN2B (0.47) | EPHX1NPC1RAB9A | |
| SCHEMBL21187113 | 0.70 | IDO1 (0.55) | EPHX1ALDH1A1SMN1; SMN2FPR2FPR1 | |
| SCHEMBL21187085 | 0.70 | IDO1 (0.55) | EPHX1ALDH1A1SMN1; SMN2FPR2FPR1 |
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-2019141095-A1 | AMIDINE AND GUANIDINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2019-07-25 | — | — | WO | disclosed |