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 | 0.98 |
| ▸ | ADRB1 known ✓ | P08588 | 1/20 | 0.98 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.98 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.98 |
| ▸ | HTR1A | P08908 | 1/20 | 0.98 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.98 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.98 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.98 |
| ▸ | DRD1 | P21728 | 1/20 | 0.98 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.98 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.98 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.83 |
| ▸ | BLM | P54132 | 1/20 | 0.83 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
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 SCHEMBL345440 | 1.00 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL8858736 | 1.00 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL222970 | 0.99 | CYP1A2 (1.00) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL2553603 | 0.99 | CYP1A2 (1.00) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL1587691 | 0.99 | CYP1A2 (1.00) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL4912 | 0.99 | CYP1A2 (1.00) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL2356059 | 0.98 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL7591293 | 0.98 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL5539013 | 0.98 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A | |
| Timolol SCHEMBL16094075 | 0.98 | CYP1A2 (0.98) | CYP1A2ADRB2ADRB1CYP3A4HTR1A |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0577913-B1 | Ophthalmic composition containing timolol hemihydrate | LEIRAS OY (FI) | 1997-06-18 | — | — | EP | claimed |
| EP-0440684-B1 | NOVEL S-TIMOLOL DERIVATIVE AND PROCESS FOR ITS PREPARATION | LEIRAS OY (FI) | 1994-09-28 | — | — | EP | claimed |
| WO-1994001115-A1 | OPHTHALMIC TOPICAL COMPOSITION CONTAINING (S)-TIMOLOL HEMIHYDRATE | LEIRAS OY (FI) | 1994-01-20 | — | — | WO | claimed |
| EP-0577913-A1 | Pharmaceutical preparation | LEIRAS OY (FI) | 1994-01-12 | — | — | EP | claimed |
| CN-111825636-B | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-111825636-B | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-111825636-B | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-111825636-A | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2020-10-27 | — | — | CN | disclosed |
| CN-111825636-A | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2020-10-27 | — | — | CN | disclosed |
| CN-111825636-A | Timolol hydrate and process for preparing same | 武汉科福新药有限责任公司 | 2020-10-27 | — | — | CN | disclosed |