Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.39 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27599551 | 0.90 | TDP1 (0.56) | LOXL2TDP1TAAR1MAOBSMN1; SMN2 | |
| Tert-Butyl Formate SCHEMBL27795935 | 0.84 | TDP1 (0.42) | LOXL2TDP1MAOBCYP3A4MAOA | |
| Tert-Butyl Formate SCHEMBL27816866 | 0.83 | TAAR1 (0.46) | LOXL2TDP1TAAR1CYP1A2CYP2D6 | |
| Tert-Butyl Formate SCHEMBL28788530 | 0.83 | CFD (0.44) | CYP1A2CYP2D6CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL28237764 | 0.82 | LOXL2 (0.61) | LOXL2TAAR1CYP1A2CYP2D6MAOB | |
| Tert-Butyl Formate SCHEMBL27345963 | 0.81 | IDO1 (0.61) | TDP1TSHR | |
| Tert-Butyl Formate SCHEMBL28788527 | 0.81 | HTR6 (0.41) | LOXL2TDP1HTR6 | |
| Tert-Butyl Formate SCHEMBL28032597 | 0.79 | TDP1 (0.59) | TDP1CYP1A2CYP2C9TSHRCYP2C19 | |
| Benzylamine SCHEMBL3130449 | 0.79 | LOXL2 (0.70) | LOXL2TAAR1CYP1A2CYP2D6MAOB | |
| Tert-Butyl Formate SCHEMBL28106695 | 0.78 | TDP1 (0.81) | TDP1TSHRCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101821238-A | Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) | COMENTIS INC | 2010-09-01 | — | — | CN | disclosed |
| CN-1514823-A | Oxalic acid derivatives | Ĭ��ר���ɷ�����˾ | 2004-07-21 | — | — | CN | disclosed |