Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.68 |
| ▸ | TSHR | P16473 | 4/20 | 0.68 |
| ▸ | LMNA | P02545 | 3/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.68 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.68 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.66 |
| ▸ | HPGD | P15428 | 1/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 1/20 | 0.58 |
| ▸ | STS | P08842 | 7/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL18541492 | 0.90 | ALDH1A1 (0.66) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL37476 | 0.88 | ESR1 (0.85) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL4971868 | 0.86 | TSHR (0.65) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27647430 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27667907 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27667931 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL26053219 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27668047 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| SCHEMBL27668052 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 | |
| Hydrogen Peroxide SCHEMBL28645617 | 0.86 | ESR1 (0.82) | ESR1TSHRLMNACYP1A2CYP2C19 |
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-2003030909-A1 | 2- AND 4-AMINOPYRIMIDINES N-SUBSTTITUDED BY A BICYCLIC RING FOR USE AS KINASE INHIBITORS IN THE TREATMENT OF CANCER | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-17 | — | — | WO | disclosed |
| US-5800624-A | LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER | UNIVERSITY OF NOTRE DAME (US) | 1998-09-01 | — | — | US | disclosed |