Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28247459 | 0.82 | SLC22A12 (0.43) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL27669526 | 0.79 | ATAD2 (0.44) | HTR2APDK1PDK2PDK3PDK4 | |
| SCHEMBL17351956 | 0.76 | SRD5A1 (0.46) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL2056315 | 0.76 | SRD5A1 (0.46) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL18373702 | 0.73 | ROCK1 (0.46) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL1198901 | 0.73 | ALDH1A1 (0.50) | LMNAMEN1NPC1KMT2A | |
| SCHEMBL12905290 | 0.73 | SRD5A1 (0.44) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL28750647 | 0.72 | PNMT (0.36) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL13068171 | 0.72 | ROCK1 (0.49) | SRD5A1ROCK1TUBB4ATUBBTUBA3C | |
| SCHEMBL12509817 | 0.71 | HSD17B3 (0.55) | SRD5A1ROCK1TUBB4ATUBBTUBA3C |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101006076-B | Modulators of ATP-binding cassette transporters | VERTEX PHARMA | 2010-09-29 | — | — | CN | disclosed |
| CN-101006076-A | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2007-07-25 | — | — | CN | disclosed |