Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL115285 | 0.92 | NPC1 (0.46) | NPC1RAB9AKMT2AMAPK1TDP1 | |
| SCHEMBL27912037 | 0.85 | CYP3A4 (0.41) | NPC1RAB9AKMT2AMAPK1TDP1 | |
| Fluorobenzene SCHEMBL2828466 | 0.84 | CYP3A4 (0.48) | NPC1RAB9AKMT2AMAPK1TDP1 | |
| SCHEMBL93163 | 0.84 | CYP3A4 (0.56) | MAPK1TDP1CYP3A4TSHRTRPA1 | |
| SCHEMBL29849567 | 0.84 | AGXT (0.40) | MAPK1TDP1CYP3A4TRPA1 | |
| SCHEMBL29849714 | 0.84 | AGXT (0.40) | MAPK1TDP1CYP3A4TRPA1 | |
| SCHEMBL7727468 | 0.82 | KMT2A (0.39) | NPC1RAB9AKMT2AMAPK1TDP1 | |
| SCHEMBL5862066 | 0.78 | CYP3A4 (0.50) | NPC1RAB9AMAPK1TDP1CYP3A4 | |
| SCHEMBL27873 | 0.77 | TDP1 (0.54) | NPC1RAB9AKMT2AMAPK1TDP1 | |
| SCHEMBL10615043 | 0.77 | TDP1 (0.54) | NPC1RAB9AKMT2AMAPK1TDP1 |
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-0710257-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL CO (US) | 1996-05-08 | — | — | EP | disclosed |
| WO-1995003346-A1 | IMIDO TRANSITION METAL COMPLEX METATHESIS CATALYSTS | SHELL OIL COMPANY (US) | 1995-02-02 | — | — | WO | disclosed |