Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.40 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GUSB | P08236 | 2/20 | 0.34 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12974130 | 0.87 | NT5E (0.47) | PDE3BPDE3AKDM4EBCHENT5E | |
| SCHEMBL17718346 | 0.84 | PDE3B (0.42) | CYP2A6PDE3BPDE3ACYP1A2PDE5A | |
| SCHEMBL11599658 | 0.80 | KDM4E (0.47) | CYP2A6PDE3BPDE3ACYP1A2PDE5A | |
| SCHEMBL17718340 | 0.75 | FABP3 (0.40) | CYP2A6PDE3BPDE3AATMALDH1A1 | |
| SCHEMBL17658222 | 0.74 | KDM4E (0.41) | CYP1A2MAPK1ALDH1A1MAOAMAOB | |
| SCHEMBL2718869 | 0.73 | NT5E (0.47) | PDE3BPDE3AKDM4EBCHENT5E | |
| SCHEMBL17718349 | 0.72 | MAPT (0.37) | CYP2A6PDE3BPDE3AATMCYP1A2 | |
| SCHEMBL28187425 | 0.71 | TNF (0.41) | MAPK1ALDH1A1KDM4EPSMB5LMNA | |
| SCHEMBL27946755 | 0.69 | ALDH1A1 (0.46) | ALDH1A1KDM4ELMNAGAAHPGD | |
| SCHEMBL6269809 | 0.69 | MEN1 (0.40) | MAPK1ALDH1A1KDM4EPKMLMNA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10941162-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2021-03-09 | — | — | US | disclosed |
| US-10919914-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2021-02-16 | — | — | US | disclosed |
| US-20190330240-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2019-10-31 | — | — | US | disclosed |
| US-20190135833-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2019-05-09 | — | — | US | disclosed |
| US-10253047-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2019-04-09 | — | — | US | disclosed |
| US-20170369511-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2017-12-28 | — | — | US | disclosed |
| US-9708348-B2 | Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-9708348-B2 | Trisubstituted bicyclic heterocyclic compounds with kinase activities and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2017-07-18 | — | — | US | disclosed |
| US-20160122365-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-05-05 | — | — | US | disclosed |
| US-20160122365-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2016-05-05 | — | — | US | 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 (7 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-10919914-B2 | Heterocyclic compounds and uses thereof | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2986/4885PDE3B 497/4885PDE3A 514/4885 |
| US-20170369511-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2986/4885PDE3B 497/4885PDE3A 514/4885 |
| US-20190135833-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2986/4885PDE3B 497/4885PDE3A 514/4885 |
| US-20160122365-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2986/4885PDE3B 497/4885PDE3A 514/4885 |
| US-10941162-B2 | Heterocyclic compounds and uses thereof | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2373/4885PDE3B 698/4885PDE3A 844/4885 |
| US-20190330240-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2986/4885PDE3B 497/4885PDE3A 514/4885 |
| US-10253047-B2 | Heterocyclic compounds and uses thereof | PIK3CA, PIK3CD, PIK3CB | CYP2A6 2795/4885PDE3B 581/4885PDE3A 745/4885 |
“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.