Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 2/20 | 0.52 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.51 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.50 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.50 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.50 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.50 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.50 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.50 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7784297 | 0.94 | CYP3A4 (0.66) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL3093627 | 0.84 | ROCK2 (0.71) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL29596226 | 0.84 | ROCK2 (0.71) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL3093633 | 0.83 | CYP3A4 (0.82) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL6816563 | 0.80 | POLB (0.65) | SMN1; SMN2RAB9ANPC1TP53LMNA | |
| SCHEMBL3616505 | 0.76 | HDAC1 (0.56) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL14679077 | 0.75 | CYP3A4 (1.00) | CYP3A4CYP2C9ROCK2ROCK1SMN1; SMN2 | |
| SCHEMBL21391312 | 0.74 | ROCK2 (0.71) | CYP3A4ROCK2ROCK1SMN1; SMN2RAB9A | |
| Terephthalamide SCHEMBL9363256 | 0.73 | KMT2A (0.85) | SMN1; SMN2RAB9ANPC1TP53LMNA | |
| SCHEMBL14972618 | 0.73 | KMT2A (0.85) | SMN1; SMN2RAB9ANPC1TP53LMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1137645-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1137632-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1137633-A2 | ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| EP-1137647-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-10-04 | — | — | EP | disclosed |
| WO-2000034268-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034260-A2 | ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034238-A1 | THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |
| WO-2000034237-A2 | ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |