Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | EGFR | P00533 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.35 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10422863 | 0.89 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL30311592 | 0.89 | EGFR (0.39) | HTR2CHTR2BEGFRALDH1A1CYP1A2 | |
| SCHEMBL29215453 | 0.89 | EGFR (0.39) | HTR2CHTR2BEGFRALDH1A1CYP1A2 | |
| SCHEMBL10422879 | 0.86 | ALDH1A1 (0.32) | ALDH1A1CYP1A2CYP3A4MAPTCYP2C9 | |
| SCHEMBL10423523 | 0.83 | — | — | |
| SCHEMBL10422898 | 0.76 | TUBB4A (0.33) | EGFRALDH1A1MAPTKDM4E | |
| SCHEMBL4841777 | 0.76 | HTR2C (0.43) | HTR2CHTR2BEGFRCHRNB4CHRNA3 | |
| SCHEMBL29215293 | 0.76 | TUBB4A (0.44) | HTR2CHTR2B | |
| SCHEMBL30311578 | 0.76 | TUBB4A (0.44) | HTR2CHTR2B | |
| SCHEMBL7227692 | 0.74 | HAO1 (0.40) | HTR2CHTR2BEGFRCHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4959391-A | LIPOXYGENASE INHIBITORS, LEUKOTRIENE DISEASES | GRUENENTHAL GMBH (DE) | 1990-09-25 | — | — | US | disclosed |
| US-4760087-A | 5-lipoxygenase inhibitor | GRUENENTHAL GMBH (DE) | 1988-07-26 | — | — | US | disclosed |