Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL15953934 | 0.90 | HSD17B10 (0.53) | LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17797792 | 0.86 | CA1 (0.55) | LMNASMN1; SMN2CA12CA1CA2 | |
| SCHEMBL26123689 | 0.83 | LMNA (0.51) | LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| Isopropyl Isonicotinate SCHEMBL552612 | 0.82 | CA12 (0.62) | LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL28927209 | 0.81 | CA1 (0.55) | CA12CA1CA2CA7CA9 | |
| Isopropyl Isonicotinate SCHEMBL30827702 | 0.81 | CA12 (0.60) | LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4418738 | 0.81 | TSHR (0.57) | LMNACYP1A2SMN1; SMN2HSD17B10CA12 | |
| SCHEMBL5363067 | 0.80 | ALDH1A1 (0.65) | LMNAHSD17B10POLBKMT2AALDH1A1 | |
| SCHEMBL3015986 | 0.79 | HSD17B10 (0.50) | LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL9004307 | 0.79 | CA1 (0.48) | LMNACYP2C9CYP2C19SMN1; SMN2CA12 |
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 |