Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.50 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.50 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.50 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8783837 | 0.82 | CYP1A2 (0.74) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8783655 | 0.80 | CYP1A2 (0.75) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL16632110 | 0.78 | HDAC1 (0.46) | TSHRMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL8920123 | 0.75 | KDM4E (0.52) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8920155 | 0.74 | KDM4E (0.54) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL1612505 | 0.73 | KDM4E (0.79) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8921277 | 0.73 | MEN1 (0.49) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL27486624 | 0.72 | CYP1A2 (0.50) | CYP1A2POLBCYP3A4CYP2C9TSHR | |
| SCHEMBL8784817 | 0.72 | KDM4E (0.69) | CYP1A2MEN1KMT2AKDM4ECYP2D6 | |
| SCHEMBL7121201 | 0.71 | ALDH1A1 (0.53) | TSHRMEN1KMT2AALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-5633379-A | N-METHYLASPARTIC ACID ANTAGONIST | CIBA-GEIGY CORPORATION (US) | 1997-05-27 | — | — | US | claimed |
| CN-1120538-A | 3-heteroaliphatyl- and 3-hetero (aryl) aliphatyl-2(1H)-quinolone dericatives | CIBA GEIGY AG (CH) | 1996-04-17 | — | — | CN | claimed |