Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.54 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.46 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.44 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | F7 | P08709 | 1/20 | 0.43 |
| ▸ | F3 | P13726 | 1/20 | 0.43 |
| ▸ | SARM1 | Q6SZW1 | 1/20 | 0.43 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6979883 | 1.00 | CYP1A2 (0.54) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL6037641 | 1.00 | CYP1A2 (0.54) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL10772486 | 0.81 | LMNA (0.57) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL4702232 | 0.81 | LMNA (0.67) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL1690472 | 0.80 | LMNA (0.56) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL30435487 | 0.80 | CYP1A2 (0.56) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL1827065 | 0.80 | CYP1A2 (0.56) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL28811862 | 0.79 | CYP1A2 (0.54) | CYP1A2LMNACYP3A4CYP11B1CYP11B2 | |
| SCHEMBL59841 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL220775 | 0.78 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C19ALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0833839-B1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMA CORP (US) | 2003-01-08 | — | — | EP | disclosed |
| US-5827860-A | Peptidyl heterocycles useful in the treatment of thrombin related disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-10-27 | — | — | US | disclosed |
| US-5827866-A | ANTICOAGULANTS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-10-27 | — | — | US | disclosed |
| EP-0833839-A1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1998-04-08 | — | — | EP | disclosed |
| WO-1996040742-A1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATEDDISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996040741-A1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |
| WO-1996040748-A1 | PEPTIDYL HETEROCYCLES USEFUL IN THE TREATMENT OF THROMBIN RELATED DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1996-12-19 | — | — | WO | disclosed |
| US-5523308-A | SERINE PROTEASES INHIBITORS; ORAL ANTICOAGULANTS; CHEMICAL INTERMEDIATES; DIPEPTIDES | ORTHO PHARMACEUTICAL CORPORATION | 1996-06-04 | — | — | US | disclosed |