Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | EED | O75530 | 1/20 | 0.36 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24341942 | 0.87 | TDP1 (0.42) | MTORTDP1CNR1RAB9AMAPT | |
| SCHEMBL23417258 | 0.86 | TDP1 (0.41) | MTORTDP1CNR1RAB9AMAPT | |
| SCHEMBL16545869 | 0.83 | TDP1 (0.50) | TDP1CNR1RAB9AMAPTNFKB1 | |
| SCHEMBL23417253 | 0.83 | TDP1 (0.39) | MTORTDP1CNR1RAB9AMAPT | |
| SCHEMBL4051309 | 0.83 | KDM4E (0.50) | MTORTDP1CHRM2CHRM4CHRM5 | |
| SCHEMBL7877632 | 0.81 | MTOR (0.51) | MTORTDP1CNR1RAB9AMAPT | |
| SCHEMBL17863640 | 0.80 | MTOR (0.42) | MTORCHRM2CHRM4CHRM5CHRM1 | |
| SCHEMBL7872383 | 0.79 | TDP1 (0.44) | MTORTDP1RAB9AMAPTNPC1 | |
| SCHEMBL16545984 | 0.79 | TDP1 (0.43) | TDP1RAB9AMAPTNPC1HCRTR1 | |
| SCHEMBL471340 | 0.78 | TDP1 (0.58) | TDP1RAB9AMAPTNPC1TP53 |
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-2421846-B1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2016-01-06 | — | — | EP | disclosed |
| WO-2010122069-A1 | 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-28 | — | — | WO | disclosed |