Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 6/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 6/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.41 |
| ▸ | TUBB | P07437 | 1/20 | 0.41 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.41 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.41 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.41 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.41 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.41 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.41 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.41 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.41 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.41 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.41 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.41 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.41 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL20072247 | 0.84 | CYP2A6 (0.47) | MTNR1AMTNR1BCYP2A6KDM4ETUBB4A | |
| SCHEMBL26699112 | 0.83 | CYP2A6 (0.46) | MTNR1AMTNR1BCYP2A6KDM4ETUBB4A | |
| SCHEMBL25007231 | 0.80 | MTNR1A (0.41) | MTNR1AMTNR1BCYP2A6KDM4ETRPV1 | |
| SCHEMBL12605658 | 0.80 | BRD4 (0.51) | MTNR1AMTNR1BCYP2A6MCL1HTR2A | |
| SCHEMBL27741946 | 0.80 | MTNR1A (0.46) | MTNR1AMTNR1BCYP2A6KDM4EMAOA | |
| SCHEMBL23841171 | 0.80 | ELANE (0.53) | CYP2A6KDM4E | |
| SCHEMBL2944091 | 0.79 | KDM4E (0.47) | KDM4E | |
| SCHEMBL1093766 | 0.78 | HTR2A (0.57) | MTNR1AMTNR1BCYP2A6CPS1HTR2A | |
| SCHEMBL29869916 | 0.78 | HTR2A (0.57) | MTNR1AMTNR1BCYP2A6CPS1HTR2A | |
| SCHEMBL30864172 | 0.77 | CYP2A6 (0.46) | MTNR1AMTNR1BCYP2A6CPS1CHRNA7 |
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-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-1999028297-A1 | SUBSTITUTED INDOLES, HAVING A THROMBIN INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA KG (DE) | 1999-06-10 | — | — | WO | disclosed |