Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 11/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | ESR1 | P03372 | 1/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.49 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.49 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | GGT1 | P19440 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31112746 | 1.00 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL21771822 | 0.86 | L3MBTL1 (0.50) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL5427066 | 0.85 | L3MBTL1 (0.62) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL2381169 | 0.84 | CXCL8 (0.56) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL31112418 | 0.83 | L3MBTL1 (0.42) | KDM4EALDH1A1ESR1TSHRTDP1 | |
| SCHEMBL11809940 | 0.83 | HPGD (0.51) | KDM4EHSD17B10HPGDTSHRL3MBTL1 | |
| SCHEMBL31112175 | 0.83 | PTGS2 (0.46) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL31112954 | 0.83 | ALOX15 (0.43) | HPGDTSHRL3MBTL1CXCL8ELANE | |
| SCHEMBL10970066 | 0.82 | PTGS2 (0.49) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 | |
| SCHEMBL13843720 | 0.82 | ELANE (0.50) | PTGS2KDM4EHSD17B10ALDH1A1ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0051190-A2 | N-(amino(or hydroxy) phenethyl)-1,2,3,4-tetrahydroisoquinolines, precursors thereof, and methods of preparation | PENNWALT CORPORATION (US) | 1982-05-12 | — | — | EP | claimed |
| US-6380388-B1 | ACTIVITY AGAINST RETROVIRUSES SUCH AS HUMAN IMMUNODEFICIENCY VIRUS (HIV), HEPATITIS B VIRUS (HBV), AND HUMAN T-LYMPHOTROPIC VIRUS | BRANTFORD CHEMICALS INC. (CA) | 2002-04-30 | — | — | US | disclosed |