Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NTRK1 | P04629 | 4/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | RIPK2 | O43353 | 1/20 | 0.42 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | AKT2 | P31751 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TACR3 | P29371 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17111699 | 0.75 | NTRK1 (0.49) | NTRK1CYP1A2GRM5AKT1AKT2 | |
| SCHEMBL17111864 | 0.73 | NTRK1 (0.47) | NTRK1CYP1A2GRM5RAB9ANPC1 | |
| SCHEMBL17111539 | 0.72 | NTRK1 (0.43) | NTRK1CYP1A2GRM5AKT1AKT2 | |
| SCHEMBL25322394 | 0.71 | ALDH1A1 (0.41) | CYP1A2GRM5RIPK2RIPK1RIPK3 | |
| SCHEMBL17133426 | 0.71 | CYP3A4 (0.52) | NTRK1MAOBCASP3RAB9ANPC1 | |
| SCHEMBL2566239 | 0.68 | NPC1 (0.47) | MAOBCASP3RAB9ANPC1POLB | |
| SCHEMBL18779358 | 0.68 | MGLL (0.47) | MAOBRAB9ANPC1POLBTACR3 | |
| SCHEMBL7229196 | 0.67 | NPC1 (0.61) | MAOBCASP3RAB9ANPC1POLB | |
| SCHEMBL30551254 | 0.67 | CYP1A2 (0.38) | CYP1A2GRM5RIPK2RIPK1RIPK3 | |
| SCHEMBL25324444 | 0.67 | CYP1A2 (0.38) | CYP1A2GRM5RIPK2RIPK1RIPK3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9815846-B2 | TrkA kinase inhibitors, compositions and methods thereof | MERCK SHARP & DOHME CORP. (US) | 2017-11-14 | — | — | US | disclosed |
| US-9815846-B2 | TrkA kinase inhibitors, compositions and methods thereof | MERCK SHARP & DOHME CORP. (US) | 2017-11-14 | — | — | US | disclosed |
| US-20170114071-A1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |
| US-20170114071-A1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2017-04-27 | — | — | US | disclosed |
| WO-2015148344-A2 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | MERCK SHARP & DOHME CORP. (US) | 2015-10-01 | — | — | 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 (1 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-20170114071-A1 | TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF | NGFR, NGF, NTRK1 | NTRK1 3/4885MAOB 1115/4885CASP3 2437/4885 |
“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.