Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | SPHK1 | Q9NYA1 | 4/20 | 0.35 |
| ▸ | P2RY6 | Q15077 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 2/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | NOS2 | P35228 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10347915 | 1.00 | MEN1 (0.41) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348093 | 0.96 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348066 | 0.96 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL8380713 | 0.96 | MAPK1 (0.44) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL8380716 | 0.96 | MAPK1 (0.44) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348163 | 0.95 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348105 | 0.95 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348091 | 0.95 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348121 | 0.95 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT | |
| SCHEMBL10348590 | 0.95 | MEN1 (0.40) | MEN1MAPK1KMT2ACYP2C9MAPT |
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-4970022-A | ISOTHIOCYANATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-11-13 | — | — | US | disclosed |
| EP-0250505-B1 | LIQUID CRYSTAL ISOTHIOCYANATE DERIVATIVES | MERCK PATENT GmbH (DE) | 1990-07-04 | — | — | EP | disclosed |