Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | POLB | P06746 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL677238 | 0.81 | MAPT (0.42) | CYP3A4HPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL19627257 | 0.74 | KDM4E (0.40) | ALDH1A1KDM4ENPSR1TAS1R3TAS1R1 | |
| SCHEMBL2202238 | 0.73 | TDP1 (0.44) | CYP3A4HPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL29997568 | 0.73 | TDP1 (0.44) | CYP3A4HPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL15233646 | 0.73 | KDM4E (0.51) | CYP3A4HPGDALDH1A1HSD17B10KDM4E | |
| SCHEMBL7666396 | 0.73 | ALDH1A1 (0.49) | HPGDALDH1A1HSD17B10KDM4EPOLB | |
| SCHEMBL27533653 | 0.73 | ALDH1A1 (0.44) | HPGDALDH1A1HSD17B10KDM4ETAS1R3 | |
| SCHEMBL31621493 | 0.73 | PTPN1 (0.41) | ALDH1A1HSD17B10KDM4EPTPN1SMN1; SMN2 | |
| SCHEMBL29274101 | 0.72 | KDM4E (0.44) | ALDH1A1HSD17B10KDM4EMAPTKMT2A | |
| SCHEMBL939482 | 0.72 | CYP3A4 (0.56) | CYP3A4HPGDALDH1A1KDM4EPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4442305-A | FOR USE IN CITRO OR IN VIVO | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1984-04-10 | — | — | US | disclosed |