Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.45 |
| ▸ | TUBB | P07437 | 2/20 | 0.45 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.45 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.45 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.45 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.45 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.45 |
| ▸ | TUBB2A | Q13885 | 2/20 | 0.45 |
| ▸ | TUBB8 | Q3ZCM7 | 2/20 | 0.45 |
| ▸ | TUBA3E | Q6PEY2 | 2/20 | 0.45 |
| ▸ | TUBA1A | Q71U36 | 2/20 | 0.45 |
| ▸ | TUBA1C | Q9BQE3 | 2/20 | 0.45 |
| ▸ | TUBB6 | Q9BUF5 | 2/20 | 0.45 |
| ▸ | TUBB2B | Q9BVA1 | 2/20 | 0.45 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9377990 | 0.92 | NUDT1 (0.52) | NUDT1ROCK1SMN1; SMN2ALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL5749583 | 0.82 | NUDT1 (0.69) | NUDT1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL5750076 | 0.81 | ROCK1 (0.67) | NUDT1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL5747568 | 0.79 | NUDT1 (0.65) | NUDT1ROCK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL9004353 | 0.78 | NUDT1 (0.51) | NUDT1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL9382651 | 0.78 | NUDT1 (0.46) | NUDT1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL24265310 | 0.75 | ROCK1 (0.59) | NUDT1ROCK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL7077159 | 0.74 | ROCK1 (0.61) | NUDT1ROCK1SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL17033290 | 0.71 | ROCK1 (0.62) | NUDT1ROCK1TUBB4ATUBBTUBA3C | |
| Hydrochloric Acid SCHEMBL5746691 | 0.70 | NUDT1 (0.68) | NUDT1ROCK1SMN1; SMN2ALDH1A1MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901474-B1 | ARYL PYRIMIDINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2006-04-19 | — | — | EP | disclosed |
| EP-1321169-A1 | Combination of a serotonin receptor antagonist with a histidine decarboxylase inhibitor as a medicament | Biofrontera Pharmaceuticals AG (DE) | 2003-06-25 | — | — | EP | disclosed |
| CN-1109675-C | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 2003-05-28 | — | — | CN | disclosed |
| US-5958934-A | 5-HT 2B ANTAGONIST | SYNTEX (U.S.A.) INC. (US) | 1999-09-28 | — | — | US | disclosed |
| US-5952331-A | SELECTIVE 5HT2B ANTAGONISTS; SEROTONIN RECEPTOR ANTAGONIST; TREATING DISORDERS OF THE GASTROINTESTINAL TRACK, RESTENOSIS, ASTHMA AND OBSTRUCTIVE AIRWAY DISEASE, PROSTATIC HYPERPLASIA, GENERALIZED ANXIETY, PANIC DISORDER | SYNTEX (USA) INC. (US) | 1999-09-14 | — | — | US | disclosed |
| CN-1223641-A | Aryl pyrimidine derivatives | HOFFMANN LA ROCHE (CH) | 1999-07-21 | — | — | CN | disclosed |
| US-5863924-A | Aryl pyrimidine derivatives | SYNTEX (U.S.A.) INC. (US) | 1999-01-26 | — | — | US | disclosed |