Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.48 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.48 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.48 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL15953935 | 0.90 | L3MBTL1 (0.59) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| SCHEMBL9969969 | 0.86 | TSHR (0.64) | TSHRLMNACYP1A2CYP2C19RAB9A | |
| SCHEMBL17641405 | 0.85 | KDM4E (0.57) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| N-Propyl Isonicotinate SCHEMBL4951536 | 0.83 | LMNA (0.67) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| SCHEMBL19688301 | 0.82 | TDP1 (0.59) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| SCHEMBL3908799 | 0.82 | KMT2A (0.44) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| N-Propyl Isonicotinate SCHEMBL28467485 | 0.81 | LMNA (0.65) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| SCHEMBL19306154 | 0.81 | KDM4E (0.57) | TSHRL3MBTL1KMT2AKDM4ELMNA | |
| SCHEMBL9928660 | 0.81 | CYP3A4 (0.66) | TSHRLMNACYP1A2CYP2C19RAB9A | |
| SCHEMBL16640624 | 0.81 | MAPT (0.60) | TSHRKMT2AKDM4ERAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2595989-A1 | HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS | Vertex Pharmaceuticals Incorporated (US) | 2013-05-29 | — | — | EP | disclosed |
| WO-2013067248-A1 | BENZOXAZINES AS MODULATORS OF ION CHANNELS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-10 | — | — | WO | disclosed |