Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.40 |
| ▸ | TUBB | P07437 | 1/20 | 0.40 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.40 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.40 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.40 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.40 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.40 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9869497 | 0.83 | ALOX5 (0.46) | CYP3A4CYP2A6CYP2C9CYP2C19RAB9A | |
| SCHEMBL9868772 | 0.83 | ALOX5 (0.46) | CYP3A4CYP2A6CYP2C9CYP2C19ALOX5 | |
| SCHEMBL9869072 | 0.74 | KDM4E (0.48) | CYP3A4CYP2C9CYP2C19TP53MAPT | |
| SCHEMBL9870113 | 0.72 | CNR1 (0.45) | CYP2C9CYP2C19RAB9ANPC1PKM | |
| SCHEMBL9869590 | 0.72 | CNR1 (0.48) | CYP2C9CYP2C19RAB9ANPC1PKM | |
| SCHEMBL9670005 | 0.72 | CYP3A4 (0.47) | CYP3A4CYP2A6CYP2C9CYP2C19RAB9A | |
| SCHEMBL5792376 | 0.71 | CYP2A6 (0.48) | CYP3A4CYP2A6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3163885 | 0.71 | KMT2A (0.46) | TP53MAPTKMT2AF2PTPN1 | |
| SCHEMBL10742442 | 0.71 | MAPT (0.49) | TP53MAPTKMT2AF2ALOX5 | |
| SCHEMBL10742406 | 0.70 | ABCB11 (0.48) | TP53MAPTTUBB4ATUBBTUBA3C |
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 6 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-4981854-A | BACTERICIDES, ANIMAL GROWTH REGUALTORS | BAYER AKTIENGESELLSCHAFT (DE) | 1991-01-01 | — | — | US | disclosed |
| US-4980353-A | BACTERICIDES, ANIMAL GROWTH REGULATORS | BAYER AKTIENGESELLSCHAFT (DE) | 1990-12-25 | — | — | 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 |