Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 3/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | EGFR | P00533 | 3/20 | 0.39 |
| ▸ | LTA4H | P09960 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6951262 | 0.81 | LTA4H (0.47) | ALDH1A1LMNAMAPK1L3MBTL1CASP3 | |
| Dimethylamine SCHEMBL6944970 | 0.80 | KDM4E (0.44) | ALDH1A1LMNAMAPK1L3MBTL1CASP3 | |
| Benzene SCHEMBL28216395 | 0.70 | KMT2A (0.56) | ALDH1A1TSHRLMNAMAPK1L3MBTL1 | |
| SCHEMBL54072 | 0.70 | KMT2A (0.56) | ALDH1A1TSHRLMNAMAPK1L3MBTL1 | |
| Diphenylmethane SCHEMBL28227772 | 0.70 | TSHR (0.85) | ALDH1A1TSHRLMNALTA4HSMN1; SMN2 | |
| SCHEMBL9636764 | 0.69 | TSHR (0.68) | ALDH1A1TSHRLMNAMAPK1ACHE | |
| SCHEMBL27916834 | 0.69 | PLA2G10 (0.53) | TSHRLMNAMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL27547476 | 0.69 | NPC1 (0.54) | ALDH1A1TSHRLMNAMAPK1L3MBTL1 | |
| SCHEMBL8399349 | 0.69 | NPC1 (0.54) | ALDH1A1TSHRLMNAMAPK1L3MBTL1 | |
| SCHEMBL6949247 | 0.68 | LTA4H (0.43) | ALDH1A1LMNAMAPK1L3MBTL1CASP3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1082121-A4 | HIV INTEGRASE INHIBITORS | MERCK & CO INC (US) | 2003-02-05 | — | — | EP | disclosed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |
| EP-1082121-A1 | HIV INTEGRASE INHIBITORS | Merck & Co., Inc. (US) | 2001-03-14 | — | — | EP | disclosed |
| WO-1999062520-A1 | HIV INTEGRASE INHIBITORS | MERCK & CO., INC. (US) | 1999-12-09 | — | — | WO | disclosed |