Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 4/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.46 |
| ▸ | CTSK | P43235 | 3/20 | 0.46 |
| ▸ | CTSS | P25774 | 3/20 | 0.46 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.43 |
| ▸ | ELANE | P08246 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CCR1 | P32246 | 2/20 | 0.43 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3730098 | 0.96 | CTSB (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3727071 | 0.96 | CTSB (0.49) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3740281 | 0.95 | CTSB (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3728988 | 0.95 | CTSB (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL7790292 | 0.89 | CTSB (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3731597 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL6476348 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3740379 | 0.86 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3739712 | 0.84 | CTSB (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19RAB9A | |
| SCHEMBL3725744 | 0.84 | CTSK (0.54) | CTSBCTSLCTSKCTSSMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1150956-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MEDIVIR AB (SE) | 2001-11-07 | — | — | EP | disclosed |
| EP-1054891-A1 | PRODRUGS | MEDIVIR AB (SE) | 2000-11-29 | — | — | EP | disclosed |
| WO-2000047561-A1 | NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | MEDIVIR AB (SE) | 2000-08-17 | — | — | WO | disclosed |
| WO-1999041275-A1 | PRODRUGS | MEDIVIR AB (SE) | 1999-08-19 | — | — | WO | disclosed |