Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | PDK1 | Q15118 | 3/20 | 0.48 |
| ▸ | PDK2 | Q15119 | 3/20 | 0.48 |
| ▸ | PDK3 | Q15120 | 3/20 | 0.48 |
| ▸ | PDK4 | Q16654 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | PRKCI | P41743 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 2/20 | 0.43 |
| ▸ | KDR | P35968 | 2/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 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 | |
|---|---|---|---|---|
| SCHEMBL10201340 | 0.84 | CA1 (0.57) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL3785145 | 0.83 | EGFR (0.54) | HPGDALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL11546340 | 0.81 | GSK3B (0.45) | HPGDPDK1PDK2PDK3PDK4 | |
| SCHEMBL2089909 | 0.81 | HPGD (0.70) | HPGDALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL2095473 | 0.81 | HPGD (0.58) | HPGDPDK1PDK2PDK3PDK4 | |
| SCHEMBL478495 | 0.80 | HDAC1 (0.54) | HPGDMAPTNPC1RAB9APRKCI | |
| SCHEMBL19170620 | 0.79 | MAPT (0.57) | HPGDALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL11545759 | 0.79 | SMN1; SMN2 (0.41) | HPGDALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL16281303 | 0.79 | PRKCI (0.62) | PDK1PDK2PDK3PDK4ALDH1A1 | |
| SCHEMBL10715875 | 0.79 | PRKCI (0.49) | PDK1PDK2PDK3PDK4ALDH1A1 |
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-4145363-A | ANTIASTHMATICS | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1979-03-20 | — | — | US | disclosed |
| US-4063025-A | PROPHYLAXIS, ANTIASTHMATIC | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) | 1977-12-13 | — | — | US | disclosed |