Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.52 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.52 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.39 |
| ▸ | VHL | P40337 | 1/20 | 0.38 |
| ▸ | ELOC | Q15369 | 1/20 | 0.38 |
| ▸ | ELOB | Q15370 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA6 | P23280 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8750551 | 0.91 | TSHR (0.54) | ESR1ESR2PDCD1CD274TSHR | |
| SCHEMBL113930 | 0.84 | IDO1 (0.52) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL40702 | 0.82 | NOS3 (0.42) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL18118664 | 0.82 | NOS3 (0.42) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL18622070 | 0.81 | CNR2 (0.37) | ESR1ESR2PDCD1CD274TSHR | |
| SCHEMBL23040222 | 0.80 | TSHR (0.40) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL18426926 | 0.80 | ADRB2 (0.50) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL18426709 | 0.80 | PRSS1 (0.41) | ESR1ESR2TSHRNOS3NOS1 | |
| SCHEMBL1754169 | 0.80 | ADRB2 (0.50) | ESR1ESR2TSHRNOS3NOS1 | |
| Alcohol SCHEMBL5309262 | 0.80 | IDO1 (0.48) | ESR1ESR2TSHRNOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002040701-A2 | ENERGY TRANSFER LABELS WITH MECHANICALLY LINKED FLUOROPHORES | THE SCRIPPS RESEARCH INSTITUTE (US) | 2002-05-23 | — | — | WO | disclosed |
| US-3947471-A | CHROMOGENIC | SUMITOMO CHEMICAL COMPANY, LTD. (JA) | 1976-03-30 | — | — | US | disclosed |