Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 2/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA4 | P22748 | 2/20 | 0.56 |
| ▸ | CA6 | P23280 | 2/20 | 0.56 |
| ▸ | CA7 | P43166 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.56 |
| ▸ | CA3 | P07451 | 1/20 | 0.56 |
| ▸ | PKM | P14618 | 1/20 | 0.56 |
| ▸ | CA5A | P35218 | 1/20 | 0.56 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.53 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28257930 | 0.90 | TPMT (0.60) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL27838567 | 0.84 | TSHR (0.58) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL8349937 | 0.84 | POLB (0.56) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL986919 | 0.84 | TPMT (0.61) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.81 | TPMT (0.78) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL2564619 | 0.79 | CA12 (0.71) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL3536547 | 0.79 | CA12 (0.71) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL4080846 | 0.79 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL10838612 | 0.79 | TPMT (0.75) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 | 0.79 | TPMT (0.75) | TPMTCA12CA1CA2CA4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105693634-B | Compound and application thereof | 清华大学 | 2018-12-11 | — | — | CN | disclosed |
| CN-105693634-A | Compound and application thereof | 清华大学 | 2016-06-22 | — | — | CN | disclosed |
| US-5861416-A | TREATMENT OF ASTHMA OR COUGH | MERRELL PHARMACEUTICALS INC. (US) | 1999-01-19 | — | — | US | disclosed |
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |