Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 6/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | SLC6A1 | P30531 | 4/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL3436333 | 1.00 | NOTUM (0.60) | NOTUMTSHRKDM4EMEN1ALDH1A1 | |
| SCHEMBL3436352 | 0.91 | NOTUM (0.72) | NOTUMTSHRMAPT | |
| SCHEMBL2451467 | 0.87 | TSHR (0.56) | NOTUMTSHRKDM4EMEN1ALDH1A1 | |
| SCHEMBL3436354 | 0.84 | MAPT (0.60) | NOTUMTSHRALDH1A1MAPT | |
| SCHEMBL3436332 | 0.82 | ALDH1A1 (0.63) | KDM4EMEN1ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL3436316 | 0.81 | TSHR (0.58) | NOTUMTSHRKDM4EALDH1A1HSD17B10 | |
| SCHEMBL29956491 | 0.81 | NOTUM (0.55) | NOTUMKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL613012 | 0.80 | TSHR (0.59) | TSHRALDH1A1KMT2AHSD17B10MAPT | |
| SCHEMBL2558871 | 0.80 | NPC1 (0.61) | NOTUMKDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL15330773 | 0.80 | NOTUM (0.57) | NOTUMKDM4EMEN1ALDH1A1KMT2A |
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-1119553-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2001-08-01 | — | — | EP | disclosed |
| WO-2000020390-A1 | MONOMERIC AND DIMERIC HETEROCYCLES, AND THERAPEUTIC USES THEREOF | GEORGETOWN UNIVERSITY (US) | 2000-04-13 | — | — | WO | disclosed |
| EP-0975595-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045263-A1 | ANALOGS OF COCAINE | GEORGETOWN UNIVERSITY (US) | 1998-10-15 | — | — | WO | disclosed |