Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL15271630 | 0.77 | ALDH1A1 (0.41) | ALDH1A1CYP2A6HSD17B10TDP1HPRT1 | |
| SCHEMBL8547847 | 0.76 | KMT2A (0.46) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL10667809 | 0.75 | LMNA (0.59) | ALDH1A1TDP1TSHRNPC1RAB9A | |
| SCHEMBL8763443 | 0.74 | ALDH1A1 (0.52) | ALDH1A1CYP2A6HSD17B10TDP1TSHR | |
| SCHEMBL4955116 | 0.74 | IMPDH2 (0.42) | KDM4ECYP3A4HTTCYP1A2 | |
| Iodide SCHEMBL10698948 | 0.74 | LMNA (0.58) | ALDH1A1TDP1TSHRNPC1RAB9A | |
| SCHEMBL6070437 | 0.72 | KIF11 (0.56) | ALDH1A1HSD17B10TSHRMAPTKDM4E | |
| SCHEMBL1727666 | 0.72 | KDM4E (0.52) | KDM4ECYP1A2 | |
| SCHEMBL5657095 | 0.72 | LMNA (0.51) | ALDH1A1HSD17B10TDP1TSHRHIF1A | |
| SCHEMBL5741090 | 0.72 | KDM4E (0.52) | ALDH1A1HSD17B10TDP1NPC1RAB9A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0724572-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-08-07 | — | — | EP | claimed |
| WO-2021016670-A1 | ANTIVIRAL AGENTS AND USES THEREOF | GRIFFITH UNIVERSITY (AU) | 2021-02-04 | — | — | WO | disclosed |
| EP-1339700-B1 | PROCESS FOR THE PREPARATION OF BENZOTRIAZOLES | CIBA SC HOLDING AG (CH) | 2007-11-21 | — | — | EP | disclosed |
| EP-0724572-A1 | FUSED TRICYCLIC HETEROAROMATIC DERIVATIVES AS DOPAMINE RECEPTOR SUBTYPE LIGANDS | MERCK SHARP & DOHME LTD. (GB) | 1996-08-07 | — | — | EP | disclosed |