Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | BCL2 | P10415 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 2/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | AKT2 | P31751 | 2/20 | 0.35 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.35 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.35 |
| ▸ | LATS1 | O95835 | 1/20 | 0.35 |
| ▸ | PRKACB | P22694 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11492645 | 0.91 | POLB (0.43) | MEN1KMT2APOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL11478446 | 0.87 | MEN1 (0.42) | MEN1KMT2APOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL11480164 | 0.86 | MEN1 (0.37) | MEN1KMT2APOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL11480389 | 0.85 | CYP2C9 (0.41) | POLBSMN1; SMN2L3MBTL1ALDH1A1ESR1 | |
| SCHEMBL11589089 | 0.84 | ALDH1A1 (0.38) | MEN1KMT2APOLBSMN1; SMN2TSHR | |
| SCHEMBL11489323 | 0.84 | PYCR1 (0.36) | KMT2ASMN1; SMN2CYP17A1CYP3A4LMNA | |
| SCHEMBL11485740 | 0.82 | CYP2A6 (0.41) | — | |
| SCHEMBL11478588 | 0.78 | POLB (0.40) | MEN1KMT2APOLBSMN1; SMN2L3MBTL1 | |
| SCHEMBL11085392 | 0.78 | HTR2A (0.38) | SMN1; SMN2L3MBTL1TSHRCYP3A4ALDH1A1 | |
| SCHEMBL11483604 | 0.76 | HDAC3 (0.39) | POLBSMN1; SMN2L3MBTL1ESR1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4196215-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1980-04-01 | — | — | US | disclosed |
| US-4115456-A | Alkyne compounds and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1978-09-19 | — | — | US | disclosed |