Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.58 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10687604 | 0.87 | CYP19A1 (0.62) | ALDH1A1SMN1; SMN2CYP17A1SLC2A1CYP19A1 | |
| SCHEMBL27707350 | 0.83 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2SLC2A1CYP19A1CYP11B1 | |
| SCHEMBL866718 | 0.82 | TSHR (0.64) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL30251598 | 0.82 | TSHR (0.64) | ALDH1A1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL4408604 | 0.82 | CA1 (0.66) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL1507916 | 0.79 | SMN1; SMN2 (0.54) | ALDH1A1SMN1; SMN2CYP17A1LMNAL3MBTL1 | |
| SCHEMBL9211456 | 0.79 | ALDH1A1 (0.55) | ALDH1A1SMN1; SMN2SLC2A1LMNAL3MBTL1 | |
| SCHEMBL9311555 | 0.78 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP17A1CYP19A1CYP11B1LMNA | |
| SCHEMBL10966183 | 0.78 | SMN1; SMN2 (0.66) | SMN1; SMN2CYP17A1LMNAL3MBTL1KMT2A | |
| SCHEMBL7475779 | 0.78 | ATM (0.58) | ALDH1A1CA12CA1CA2CA9 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6114534-A | REACTING A KETONE DERIVATIVE OF CARBAMOYL SUBSTITUTED HETEROCYCLE WITH PHOSPHORANE, FOLLOWED BY ACIDIFICATION TO FORM AN ANTICOAGULANT | ELI LILLY AND COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| US-6075147-A | OMEGA-PHENYL-OMEGA-(3-PYRIDYL)-OMEGA-ALKENOIC ACID DERIVATIVES BEARING A CARBAMOYL SUBSTITUTED OXAZOLYL OR OXAZOLINYL GROUP ON THE PHENYL RING IS USEFUL FOR THROMBOXANE RECEPTOR ANTAGONSIM OR THROMBOXANE SYNTHASE INHIBITOR | ELI LILLY AND COMPANY (US) | 2000-06-13 | — | — | US | disclosed |
| US-6031095-A | Intermediates in the preparation of substituted alkenoic acids | ELI LILLY AND COMPANY (US) | 2000-02-29 | — | — | US | disclosed |
| US-5990308-A | Intermediates in the preparation of substituted alkenoic acids | ELI LILLY AND COMPANY (US) | 1999-11-23 | — | — | US | disclosed |
| US-5849766-A | Carbamoyl substituted heterocycles | ELI LILLY AND COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| US-5849922-A | Preparation of substituted alkenoic acids | ELI LILLY AND COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0816361-A2 | Preparation of substituted alkenoic acids | ELI LILLY AND COMPANY (US) | 1998-01-07 | — | — | EP | disclosed |
| EP-0811621-A2 | Carbamoyl substituted oxazoles as thromboxane receptor antagonists | ELI LILLY AND COMPANY (US) | 1997-12-10 | — | — | EP | disclosed |
| EP-0110996-A1 | IMIDAZOLE DERIVATIVES | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1984-06-20 | — | — | EP | disclosed |