Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 5/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | ATM | Q13315 | 2/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 3/20 | 0.41 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.41 |
| ▸ | TUBB | P07437 | 2/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9870113 | 0.90 | CNR1 (0.45) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL9869497 | 0.86 | ALOX5 (0.46) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL9869221 | 0.79 | HSP90AA1 (0.49) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL9868772 | 0.76 | ALOX5 (0.46) | BACE1KDM4EALDH1A1GAACYP2C9 | |
| SCHEMBL9869285 | 0.76 | CNR1 (0.51) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL9869492 | 0.72 | CYP3A4 (0.44) | CNR1CNR2TDP1TUBB4ATUBB | |
| SCHEMBL9868850 | 0.71 | HSP90AA1 (0.46) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL4852010 | 0.71 | KDM4E (0.46) | KDM4EALDH1A1LMNAGAA | |
| SCHEMBL4765975 | 0.70 | KDM4E (0.46) | CNR1CNR2L3MBTL1TDP1ATM | |
| SCHEMBL4859874 | 0.70 | ALDH1A1 (0.58) | L3MBTL1TDP1ATMBACE1KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5006532-A | Enzyme inhibitor; antiinflammatory agents | MERCK & CO. INC., INC. (US) | 1991-04-09 | — | — | US | claimed |
| US-5006532-A | Enzyme inhibitor; antiinflammatory agents | MERCK & CO. INC., INC. (US) | 1991-04-09 | — | — | US | disclosed |
| US-4904672-A | Derivatives of 3-hydroxyazabenzo[b]thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1990-02-27 | — | — | US | disclosed |
| US-4767766-A | Derivatives of 3-hydroxyazabenzo(B)thiophene useful as 5-lipoxygenase inhibitors | MERCK & CO., INC. (US) | 1988-08-30 | — | — | US | disclosed |