Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | PDCD4 | Q53EL6 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 4/20 | 0.32 |
| ▸ | CA1 | P00915 | 4/20 | 0.32 |
| ▸ | CA2 | P00918 | 4/20 | 0.32 |
| ▸ | CA9 | Q16790 | 4/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10627228 | 0.75 | CYP3A4 (0.39) | CYP3A4MAPTCYP2C19 | |
| Methane SCHEMBL10714378 | 0.74 | CYP3A4 (0.38) | CYP3A4MAPTCYP2C19 | |
| SCHEMBL17350020 | 0.73 | CA12 (0.41) | CYP3A4MAPTCYP2C19HSD17B10PDCD4 | |
| SCHEMBL18993788 | 0.72 | — | — | |
| SCHEMBL8420179 | 0.71 | XPO1 (0.35) | CYP3A4CYP2C19HSD17B10 | |
| Asperlin SCHEMBL4618 | 0.70 | CA12 (0.38) | CYP3A4MAPTCYP2C19HSD17B10MAPK1 | |
| Asperlin SCHEMBL8418444 | 0.70 | CA12 (0.38) | CYP3A4MAPTCYP2C19HSD17B10MAPK1 | |
| Asperlin SCHEMBL34463245 | 0.70 | CA12 (0.38) | CYP3A4MAPTCYP2C19HSD17B10MAPK1 | |
| Asperlin SCHEMBL8418886 | 0.70 | CA12 (0.38) | CYP3A4MAPTCYP2C19HSD17B10MAPK1 | |
| SCHEMBL981868 | 0.68 | POLB (0.34) | MAPTPDCD4MAPK1CA1CA2 |
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-5912266-A | 6,7-ANHYDRO-2,3,8-TRIDEOXY-D-GALACTO-OCT-2-ENOIC ACID.DELTA.-LACTONE 4-ACETATE, ALSO REFERRED TO AS 5,6-DIHYDRO-5(S)-ACETOXY-6(S)-(1,2-TRANS-EPOXYPROPYL)-2H-PYRAN -2-ON. | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-06-15 | — | — | US | disclosed |
| WO-1998007432-A1 | BETA2 INTEGRIN CELL ADHESION MOLECULE INHIBITORS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-02-26 | — | — | WO | disclosed |