Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | SHBG | P04278 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | PLAA | Q9Y263 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL105705 | 0.84 | CA12 (0.58) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL31509307 | 0.84 | CA12 (0.58) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL27769961 | 0.83 | CA12 (0.56) | ESR1ESR2MEN1KMT2AMAPT | |
| SCHEMBL105417 | 0.80 | HSP90AB1 (0.70) | NPC1RAB9AHSP90AB1ESR1SHBG | |
| SCHEMBL28732226 | 0.79 | HSP90AB1 (0.69) | NPC1RAB9AHSP90AB1ESR1SHBG | |
| SCHEMBL10622910 | 0.79 | CYP1A2 (0.44) | NPC1RAB9AMEN1KMT2AHTT | |
| SCHEMBL28536837 | 0.79 | AKR1C3 (0.41) | MAPTKDM4EPLAAPOLBGAA | |
| SCHEMBL9533712 | 0.79 | TSHR (0.45) | HSP90AB1HTTPLAAHPGDPOLB | |
| Water SCHEMBL1231468 | 0.78 | HSP90AB1 (0.68) | NPC1RAB9AHSP90AB1ESR1SHBG | |
| SCHEMBL3174922 | 0.77 | NPC1 (0.66) | NPC1RAB9AHSP90AB1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-9476883-B2 | Cellular recognition conjugates and methods of use for the histological analysis of cancer tissue using MALDI-MS imaging | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2016-10-25 | — | — | US | disclosed |
| US-20140315220-A1 | CELLULAR RECOGNITION CONJUGATES AND METHODS OF USE FOR THE HISTOLOGICAL ANALYSIS OF CANCER TISSUE USING MALDI-MS IMAGING | GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) | 2014-10-23 | — | — | US | disclosed |