Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.51 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | TP53 | P04637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | IGF1R | P08069 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9547587 | 0.83 | ESR1 (0.49) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL1176870 | 0.83 | ESR1 (0.49) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL1176872 | 0.83 | ESR1 (0.49) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL2038478 | 0.80 | ESR1 (0.46) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL30804118 | 0.79 | ALDH1A1 (0.51) | ESR1ESR2CES2CES1ALDH1A1 | |
| SCHEMBL21268574 | 0.79 | ALDH1A1 (0.51) | ESR1ESR2CES2CES1ALDH1A1 | |
| SCHEMBL6555569 | 0.79 | ALDH1A1 (0.51) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL4871807 | 0.77 | ESR1 (0.64) | NPSR1ESR1ESR2CES2CES1 | |
| SCHEMBL9547554 | 0.76 | RAB9A (0.56) | ALDH1A1TP53LMNACYP1A2MEN1 | |
| SCHEMBL10394005 | 0.75 | ALDH1A1 (0.57) | ESR1ESR2CES2CES1ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5194660-A | Processes for producing carbamates and isocyanates | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1993-03-16 | — | — | US | disclosed |
| US-4621149-A | PLATINUM GROUP METAL HALOGEN OR HALOGEN COMPOUND | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1986-11-04 | — | — | US | disclosed |
| EP-0083096-A2 | Production of urethane compounds | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1983-07-06 | — | — | EP | disclosed |