Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 5/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | KCNA3 | P22001 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | KCNA2 | P16389 | 1/20 | 0.41 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 4/20 | 0.41 |
| ▸ | HTR2C | P28335 | 4/20 | 0.41 |
| ▸ | HTR2B | P41595 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28792214 | 0.77 | KCNA3 (0.56) | KCNA3ALDH1A1KDM4ECYP3A4CYP2A6 | |
| SCHEMBL29679112 | 0.77 | KCNA3 (0.56) | KCNA3ALDH1A1KDM4ECYP3A4CYP2A6 | |
| SCHEMBL21395428 | 0.74 | CYP1A1 (0.45) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL2046713 | 0.72 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL19783161 | 0.71 | KDM4E (0.33) | KDM4ECYP3A4CYP2D6TSHRCYP2C19 | |
| SCHEMBL19783244 | 0.70 | KCNA3 (0.55) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL954825 | 0.70 | CYP1A1 (0.48) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL30973495 | 0.70 | CYP1A1 (0.33) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL8354843 | 0.68 | HTR2A (0.47) | CYP1A1CYP1B1CYP1A2KCNA3ALDH1A1 | |
| SCHEMBL30231369 | 0.67 | MAOA (0.34) | CYP1A1KCNA3KDM4ECYP3A4ADORA3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-B | Bicyclic heteroaryl substituted compounds | 百时美施贵宝公司 | 2023-01-20 | — | — | CN | disclosed |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BISTOL MYERS SQUIBB COMPANY (US) | 2019-09-26 | — | — | US | disclosed |
| WO-2018013774-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20190292176-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | F2, F2RL3, PF4 | CYP1A1 196/4885CYP1B1 167/4885CYP1A2 200/4885 |
| US-20210163465-A1 | BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS | F2, F2RL3, F12 | CYP1A1 164/4885CYP1B1 148/4885CYP1A2 176/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.