Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.51 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.51 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4224819 | 0.83 | ESR1 (0.55) | NPC1ADRB2ADRB1ADRB3RAB9A | |
| SCHEMBL30437641 | 0.83 | ESR1 (0.55) | NPC1ADRB2ADRB1ADRB3RAB9A | |
| SCHEMBL2691863 | 0.82 | MAPK1 (0.53) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL2835091 | 0.78 | NPC1 (0.54) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL31237097 | 0.77 | POLB (0.62) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL641903 | 0.77 | POLB (0.62) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL3197513 | 0.77 | RAB9A (0.51) | NPC1TDP1RAB9AKMT2AMEN1 | |
| SCHEMBL17459869 | 0.75 | CES2 (0.57) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL29934134 | 0.75 | CES2 (0.57) | NPC1TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL27539468 | 0.75 | SLC7A5 (0.53) | NPC1ADRB2ADRB1ADRB3RAB9A |
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-2007064619-A1 | PYRIMIDINE DERIVATIVES AS HIV INTEGRASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-06-07 | — | — | WO | disclosed |