Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.45 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.36 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TYMS | P04818 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2201317 | 0.80 | IDO1 (0.43) | CYP2A6TDP1KDM4EALDH1A1LMNA | |
| SCHEMBL5260014 | 0.79 | CYP1A2 (0.45) | CYP1A2CYP2A6KMT2AATMNPSR1 | |
| SCHEMBL6050952 | 0.79 | — | — | |
| SCHEMBL6050951 | 0.79 | IDO1 (0.45) | CYP1A2KMT2AATMTDP1KDM4E | |
| SCHEMBL6050927 | 0.79 | CYP1A2 (0.36) | CYP1A2LMNA | |
| SCHEMBL17626068 | 0.79 | AHR (0.38) | KDM4EALDH1A1 | |
| SCHEMBL3858714 | 0.77 | HTR2C (0.40) | KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL2753788 | 0.77 | HSP90AA1 (0.44) | KMT2AKDM4EALDH1A1LMNA | |
| SCHEMBL2750777 | 0.77 | IDO1 (0.45) | KDM4EALDH1A1 | |
| SCHEMBL6050917 | 0.76 | AR (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0478974-B1 | N-Heteroaryl-2-nitroanilines | BASF AG (DE) | 1995-12-27 | — | — | EP | disclosed |
| US-5298515-A | N-hetaryl-2-nitroanilines | BASF AKTIENGESELLSCHAFT (DE) | 1994-03-29 | — | — | US | disclosed |
| EP-0478974-A1 | N-Heteroaryl-2-nitroanilines | BASF Aktiengesellschaft (DE) | 1992-04-08 | — | — | EP | disclosed |