Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 3/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL19506954 | 0.88 | ALDH1A1 (0.40) | ALDH1A1TSHRSMN1; SMN2RECQLCNR1 | |
| SCHEMBL19506630 | 0.85 | CNR1 (0.41) | ALDH1A1TSHRSMN1; SMN2CNR1CNR2 | |
| SCHEMBL19261397 | 0.85 | CNR1 (0.41) | ALDH1A1TSHRSMN1; SMN2CNR1CNR2 | |
| SCHEMBL22984506 | 0.83 | ALDH1A1 (0.38) | ALDH1A1TSHRTP53SMN1; SMN2RECQL | |
| SCHEMBL11135476 | 0.83 | ALDH1A1 (0.42) | ALDH1A1TSHRSMN1; SMN2RECQLMEN1 | |
| SCHEMBL18909499 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRTP53SMN1; SMN2MEN1 | |
| SCHEMBL19255440 | 0.80 | ATM (0.31) | ALDH1A1LMNASIGMAR1HRH3 | |
| SCHEMBL4870940 | 0.80 | SMN1; SMN2 (0.48) | ALDH1A1SMN1; SMN2MEN1KMT2AUSP2 | |
| SCHEMBL21120418 | 0.80 | ALDH1A1 (0.36) | ALDH1A1TSHRTP53SMN1; SMN2RECQL | |
| SCHEMBL19888347 | 0.79 | SMN1; SMN2 (0.47) | ALDH1A1TSHRTP53SMN1; SMN2MEN1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230130822-A1 | LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF | ADVANCION CORPORATION | 2023-04-27 | — | — | US | disclosed |
| US-11168102-B1 | Bicyclic heteroaryl compounds and uses thereof | Revolution Medicines, Inc. (US) | 2021-11-09 | — | — | US | disclosed |
| EP-3185865-B1 | TETRAHYDRONAPTHTYRIDINE DERIVATIVES AS MGLUR2 NEGATIVE ALLOSTERIC MODULATORS, COMPOSITIONS, AND THEIR USE. | MERCK SHARP & DOHME (US) | 2020-07-15 | — | — | EP | disclosed |
| US-10507209-B2 | Quinazoline derivatives substituted by aniline, preparation method and use thereof | XUANZHU PHARMA CO, LTD. (CN) | 2019-12-17 | — | — | US | disclosed |
| US-10336721-B2 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | YALE UNIVERSITY (US) | 2019-07-02 | — | — | US | disclosed |
| US-10329299-B2 | Heterocyclic compounds and uses thereof | INFINITY PHARMACEUTICALS, INC. (US) | 2019-06-25 | — | — | US | disclosed |
| US-20180044346-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | TWELVE THERAPEUTICS, INC. | 2018-02-15 | — | — | US | disclosed |
| US-20180015093-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | INFINITY PHARMACEUTICALS, INC. | 2018-01-18 | — | — | US | disclosed |
| US-20170333433-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | XUANZHU PHARMA CO, LTD. (CN) | 2017-11-23 | — | — | 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 (8 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-20170333433-A1 | QUINAZOLINE DERIVATIVES SUBSTITUTED BY ANILINE, PREPARATION METHOD AND USE THEREOF | NQO2, CHRM1, CHRM2 | ALDH1A1 691/4885TSHR 1092/4885TP53 2575/4885 |
| US-10336721-B2 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | MIF, MMP12, CSF1R | ALDH1A1 3264/4885TSHR 3504/4885TP53 3480/4885 |
| US-11168102-B1 | Bicyclic heteroaryl compounds and uses thereof | SOS1, SOST, SOS2 | ALDH1A1 3199/4885TSHR 2547/4885TP53 3021/4885 |
| US-10507209-B2 | Quinazoline derivatives substituted by aniline, preparation method and use thereof | NQO2, CHRM1, CHRM2 | ALDH1A1 691/4885TSHR 1092/4885TP53 2575/4885 |
| US-10329299-B2 | Heterocyclic compounds and uses thereof | PIK3CA, AKT1, AKT2 | ALDH1A1 1493/4885TSHR 3920/4885TP53 987/4885 |
| US-20230130822-A1 | LOW TOXICITY NMP SUBSTITUTES AND USES THEREOF | NME4, NMBR, NMUR1 | ALDH1A1 1133/4885TSHR 3306/4885TP53 579/4885 |
| US-20180015093-A1 | TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS | PIK3CA, MCL1, PIK3CB | ALDH1A1 2702/4885TSHR 2387/4885TP53 39/4885 |
| US-20180044346-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | PIK3CA, PIK3CD, PIK3CB | ALDH1A1 3154/4885TSHR 4224/4885TP53 544/4885 |
“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.