Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.39 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.39 |
| ▸ | TUBB | P07437 | 1/20 | 0.39 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.39 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.39 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.39 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.39 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.39 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.39 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.39 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.39 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.39 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.39 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.39 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Iodobenzene SCHEMBL28037168 | 0.86 | TUBB1 (0.42) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7706095 | 0.83 | ACHE (0.48) | ABCB1ABCG2TUBB1TUBB4ATUBB | |
| SCHEMBL29793476 | 0.72 | ACHE (0.50) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL1635426 | 0.72 | ACHE (0.50) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL10584398 | 0.71 | ACHE (0.48) | ABCB1ABCG2TUBB1MAPTMEN1 | |
| Iodide SCHEMBL8935417 | 0.71 | ACHE (0.48) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| Bromide SCHEMBL8935512 | 0.69 | ACHE (0.46) | TUBB1MAPTMEN1KMT2AHPGD | |
| Bromide SCHEMBL8935516 | 0.69 | ACHE (0.46) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL29741516 | 0.68 | KDM4E (0.56) | MAPTHPGDPOLBCA12CA1 | |
| SCHEMBL3760438 | 0.68 | KDM4E (0.56) | MAPTHPGDPOLBCA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104994845-B | Quinonyl Nitric oxidedonating compounds for ophthalmic applications | 尼科斯科学爱尔兰公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-103687843-B | Quinone based nitric oxide donor compounds | 尼科斯科学爱尔兰公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-103739499-B | Quinonyl Nitric oxidedonating compounds | 尼科斯科学爱尔兰公司 | 2016-09-07 | — | — | CN | disclosed |
| CN-104994845-A | Quinone based nitric oxide donating compounds for ophthalmic use | NICOX SA | 2015-10-21 | — | — | CN | disclosed |