Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.74 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | RXRA | P19793 | 3/20 | 0.51 |
| ▸ | RXRB | P28702 | 3/20 | 0.51 |
| ▸ | RXRG | P48443 | 2/20 | 0.51 |
| ▸ | RARB | P10826 | 1/20 | 0.51 |
| ▸ | RARG | P13631 | 1/20 | 0.51 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL15220060 | 0.89 | TSHR (0.67) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| SCHEMBL71112 | 0.89 | TSHR (0.67) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| SCHEMBL15220063 | 0.89 | TSHR (0.67) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| SCHEMBL20615020 | 0.87 | ALDH1A1 (0.74) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| Barium SCHEMBL9452526 | 0.86 | TSHR (0.63) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| Hydrochloric Acid SCHEMBL7138094 | 0.86 | TSHR (0.63) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| SCHEMBL9459884 | 0.86 | TSHR (0.63) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| 4-Methylbenzoic Acid SCHEMBL93638 | 0.86 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| Terephthalic Acid SCHEMBL526449 | 0.86 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD | |
| 4-Methylbenzoic Acid SCHEMBL11366477 | 0.86 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2SRD5A2LMNAHPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0805813-B1 | TRICYCLIC VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID CO (US) | 2002-05-15 | — | — | EP | disclosed |
| US-5780471-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1998-07-14 | — | — | US | disclosed |
| US-5521173-A | TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |