Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.35 |
| ▸ | CA12 | O43570 | 3/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 5/20 | 0.35 |
| ▸ | CTSS | P25774 | 2/20 | 0.35 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28240301 | 0.83 | CA1 (0.49) | CYP2D6CA1CA2CA12CA14 | |
| SCHEMBL25917050 | 0.83 | CA1 (0.49) | CYP2D6CA1CA2CA12CA14 | |
| SCHEMBL16310556 | 0.80 | HDAC8 (0.39) | CYP2D6CA1CA2CA12CA14 | |
| SCHEMBL7051239 | 0.80 | HDAC1 (0.54) | CYP2D6CA2HDAC8HDAC6HDAC7 | |
| SCHEMBL16798232 | 0.80 | HDAC1 (0.54) | CYP2D6CA2HDAC8HDAC6HDAC7 | |
| SCHEMBL6448846 | 0.80 | HDAC1 (0.54) | CYP2D6CA2HDAC8HDAC6HDAC7 | |
| SCHEMBL8258147 | 0.75 | CA2 (0.61) | CYP2D6CA1CA2CTSKCTSS | |
| SCHEMBL24571120 | 0.73 | CYP2D6 (0.41) | CYP2D6CA1CA2CA12CA14 | |
| SCHEMBL11102245 | 0.72 | CYP2D6 (0.44) | CYP2D6CA1CA2CA12CA14 | |
| SCHEMBL1915651 | 0.71 | CA2 (0.55) | CYP2D6CA1CA2CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| EP-0986384-B1 | INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES | UNIV PITTSBURGH (US) | 2012-02-22 | — | — | EP | disclosed |
| US-6310095-B1 | INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE | UNIVERSITY OF PITTSBURGH | 2001-10-30 | — | — | US | disclosed |