Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | PHGDH | O43175 | 1/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21428424 | 1.00 | HTR1A (0.47) | HTR1AALDH1A1KDM4EKDM4CTDP1 | |
| SCHEMBL21428431 | 0.86 | HTR1A (0.44) | HTR1AALDH1A1KDM4EKDM4CTDP1 | |
| SCHEMBL27150333 | 0.85 | ALDH1A1 (0.37) | ALDH1A1KDM4ECYP1A2HSD17B10POLB | |
| SCHEMBL24715747 | 0.84 | ALDH1A1 (0.36) | ALDH1A1KDM4ETDP1CYP1A2POLB | |
| SCHEMBL21428421 | 0.83 | HTR1A (0.44) | HTR1AALDH1A1KDM4EKDM4CTDP1 | |
| SCHEMBL21000281 | 0.80 | FAAH (0.47) | HTR1AALDH1A1KDM4ELMNAKMT2A | |
| SCHEMBL10053019 | 0.80 | CYP1A2 (0.48) | HTR1AALDH1A1KDM4EKDM4CTDP1 | |
| SCHEMBL4531819 | 0.80 | TSHR (0.33) | ALDH1A1KDM4EPOLBHTTSMN1; SMN2 | |
| SCHEMBL25179804 | 0.80 | CA2 (0.38) | ALDH1A1POLBHTTSMN1; SMN2TSHR | |
| SCHEMBL4536006 | 0.80 | DPP4 (0.36) | ALDH1A1KDM4ETDP1CYP1A2POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3816164-B9 | ISOTHIAZOLO[5,4-D]PYRIMIDINE COMPOUND AS IRAK4 INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) | 2024-07-10 | — | — | EP | disclosed |