Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TPMT | P51580 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | PHGDH | O43175 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18790764 | 0.94 | POLB (0.38) | POLBSMN1; SMN2NPC1RAB9ARXRA | |
| SCHEMBL11495372 | 0.93 | POLB (0.40) | POLBSMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL18790751 | 0.93 | TPMT (0.38) | CYP1A2RXRATPMTCYP2D6CA1 | |
| SCHEMBL18790832 | 0.86 | ALDH1A1 (0.42) | POLBSMN1; SMN2NPC1RAB9ARXRA | |
| SCHEMBL22309042 | 0.86 | TPMT (0.41) | POLBRXRATPMTCA1CA2 | |
| SCHEMBL18790760 | 0.85 | CES2 (0.43) | POLBSMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL18790464 | 0.84 | POLB (0.35) | POLBSMN1; SMN2NPC1RAB9ARXRA | |
| SCHEMBL18790473 | 0.79 | ALDH1A1 (0.36) | POLBSMN1; SMN2ALDH1A1LMNACES2 | |
| SCHEMBL18790793 | 0.79 | CES2 (0.46) | POLBSMN1; SMN2NPC1RAB9ACYP1A2 | |
| SCHEMBL22872468 | 0.79 | CES2 (0.46) | POLBSMN1; SMN2NPC1RAB9ACYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3365318-B1 | BENZYL MONOKETALS AND USE THEREOF | MERCK PATENT GMBH (DE) | 2021-01-06 | — | — | EP | disclosed |
| WO-2017067634-A1 | BENZIL MONOKETALAND USE THEREOF | MERCK PATENT GMBH (DE) | 2017-04-27 | — | — | WO | disclosed |