Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Timolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.85 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.85 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 1.00 |
| ▸ | BLM | P54132 | 1/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.85 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.85 |
| ▸ | HTR1A | P08908 | 1/20 | 0.85 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.85 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.85 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.85 |
| ▸ | DRD1 | P21728 | 1/20 | 0.85 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.85 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.85 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Timolol SCHEMBL26233 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL6828541 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1629068 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL8093958 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1588402 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL1428194 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL41823 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL30597567 | 1.00 | SMN1; SMN2 (1.00) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL365528 | 0.99 | SMN1; SMN2 (0.98) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 | |
| Timolol SCHEMBL365527 | 0.99 | SMN1; SMN2 (0.98) | SMN1; SMN2BLMCYP1A2ADRB2ADRB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-111405895-A | Controlled release pharmaceutical composition and preparation method thereof | 江苏恒瑞医药股份有限公司 | 2020-07-10 | — | — | CN | claimed |