Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.64 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | DAO | P14920 | 1/20 | 0.58 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.58 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.57 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.56 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | PTGS2 | P35354 | 4/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL28922000 | 0.89 | ESR1 (0.65) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| SCHEMBL4612465 | 0.89 | ESR1 (0.78) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| SCHEMBL22046628 | 0.89 | ESR1 (0.72) | ESR1TSHRDAONAPRTCYP19A1 | |
| Benzene SCHEMBL27868814 | 0.87 | ESR1 (0.74) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| SCHEMBL55433 | 0.87 | ESR1 (0.74) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| SCHEMBL12533776 | 0.84 | PTGS2 (0.47) | ESR1TSHRDAONAPRTCYP19A1 | |
| Hydrochloric Acid SCHEMBL28642233 | 0.84 | ESR1 (0.71) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| Bromide SCHEMBL28733230 | 0.84 | ESR1 (0.71) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| SCHEMBL30366689 | 0.84 | ESR1 (0.71) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 | |
| Phosphine SCHEMBL28461311 | 0.84 | ESR1 (0.71) | ESR1CYP19A1CYP11B2AKR1C1PTGS2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4017483-A | OPTICAL BRIGHTENERS | CIBA-GEIGY CORPORATION (US) | 1977-04-12 | — | — | US | disclosed |