Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.43 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.43 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.43 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL29668381 | 0.87 | MEN1 (0.60) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL1107151 | 0.87 | MEN1 (0.60) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL7041225 | 0.84 | KMT2A (0.54) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL15709794 | 0.84 | MEN1 (0.54) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9642581 | 0.84 | MEN1 (0.54) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4484997 | 0.84 | MEN1 (0.54) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL9579673 | 0.82 | ALDH1A1 (0.58) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL18676070 | 0.82 | KMT2A (0.49) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL4090341 | 0.81 | RAB9A (0.51) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 | |
| SCHEMBL21376013 | 0.81 | MEN1 (0.51) | MEN1KMT2ARAB9ANPC1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023136942-A1 | SYNTHETIC INTERMEDIATES AND IMPROVED PROCESSES FOR PREPARING ROCK INHIBITORS | AERIE PHARMACEUTICALS, INC. (US) | 2023-07-20 | — | — | WO | disclosed |
| CN-1759095-A | N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives | ELAN PHARM INC (US) | 2006-04-12 | — | — | CN | disclosed |