Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | SYK | P43405 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.51 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | CA7 | P43166 | 1/20 | 0.51 |
| ▸ | CA9 | Q16790 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.50 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2946059 | 0.84 | NPC1 (0.71) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL27289103 | 0.82 | POLB (0.57) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL259795 | 0.82 | NPC1 (0.77) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL1605290 | 0.81 | NPC1 (0.67) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL7290826 | 0.80 | THRB (0.62) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL5074696 | 0.80 | KDM4E (0.59) | NPC1MEN1KMT2APOLBALDH1A1 | |
| Floredil SCHEMBL309848 | 0.80 | ALDH1A1 (0.69) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL15516600 | 0.79 | ALDH1A1 (0.56) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL7980214 | 0.79 | KDM4E (0.65) | NPC1MEN1KMT2APOLBALDH1A1 | |
| SCHEMBL3426969 | 0.79 | SYK (0.59) | NPC1MEN1KMT2APOLBALDH1A1 |
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-6235740-B1 | AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS | BRISTOL-MYERS SQUIBB CO. | 2001-05-22 | — | — | US | disclosed |