Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDR2 | Q16832 | 1/20 | 0.56 |
| ▸ | RET | P07949 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.42 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL10372971 | 0.88 | KDM4E (0.41) | DDR2RETNPC1RAB9AAKR1B1 | |
| SCHEMBL24046932 | 0.77 | MEN1 (0.64) | RETNPC1RAB9AKDM4ECYP3A4 | |
| SCHEMBL31652584 | 0.77 | RAB9A (0.42) | DDR2RETRAB9AAKR1B1KDM4E | |
| SCHEMBL26128173 | 0.75 | KDM4E (0.40) | NPC1RAB9AAKR1B1KDM4ECYP3A4 | |
| SCHEMBL5969858 | 0.74 | TNKS (0.54) | NPC1RAB9AKDM4ECYP3A4TP53 | |
| SCHEMBL10453856 | 0.74 | HCRTR1 (0.51) | NPC1RAB9AKDM4ECYP3A4MEN1 | |
| SCHEMBL10453899 | 0.74 | CASP3 (0.51) | NPC1RAB9AKDM4ECYP3A4MEN1 | |
| SCHEMBL10372972 | 0.73 | KDM4E (0.32) | KDM4ECYP3A4GAA | |
| SCHEMBL622846 | 0.72 | DDR2 (1.00) | DDR2RETNPC1RAB9AKDM4E | |
| SCHEMBL11548259 | 0.71 | NISCH (0.50) | NPC1RAB9AKDM4ECYP3A4ALDH1A1 |
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-5777128-A | Process for preparing benzopyran compounds | SMITHKLINE BEECHAM P.L.C. (GB) | 1998-07-07 | — | — | US | disclosed |