Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TUBB1 | Q9H4B7 | 7/20 | 0.53 |
| ▸ | TUBB4A | P04350 | 5/20 | 0.53 |
| ▸ | TUBB | P07437 | 5/20 | 0.53 |
| ▸ | TUBA3C | P0DPH7 | 5/20 | 0.53 |
| ▸ | TUBA1B | P68363 | 5/20 | 0.53 |
| ▸ | TUBA4A | P68366 | 5/20 | 0.53 |
| ▸ | TUBB4B | P68371 | 5/20 | 0.53 |
| ▸ | TUBB3 | Q13509 | 5/20 | 0.53 |
| ▸ | TUBB2A | Q13885 | 5/20 | 0.53 |
| ▸ | TUBB8 | Q3ZCM7 | 5/20 | 0.53 |
| ▸ | TUBA3E | Q6PEY2 | 5/20 | 0.53 |
| ▸ | TUBA1A | Q71U36 | 5/20 | 0.53 |
| ▸ | TUBA1C | Q9BQE3 | 5/20 | 0.53 |
| ▸ | TUBB6 | Q9BUF5 | 5/20 | 0.53 |
| ▸ | TUBB2B | Q9BVA1 | 5/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9040929 | 0.83 | TUBB1 (0.55) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2094487 | 0.83 | CYP1A2 (0.47) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL2759497 | 0.80 | TUBB4A (0.61) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9122056 | 0.80 | TSHR (0.60) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL8934082 | 0.79 | TUBB1 (0.50) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL15114734 | 0.78 | FYN (0.49) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL11042512 | 0.78 | TUBB1 (0.49) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL4545436 | 0.78 | TUBB1 (0.49) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL9585998 | 0.77 | TSHR (0.57) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL12963218 | 0.77 | TUBB4A (0.63) | TUBB1TUBB4ATUBBTUBA3CTUBA1B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012042541-A2 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2012-04-05 | — | — | WO | disclosed |