Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TPMT | P51580 | 2/20 | 0.61 |
| ▸ | CA12 | O43570 | 2/20 | 0.58 |
| ▸ | CA1 | P00915 | 2/20 | 0.58 |
| ▸ | CA2 | P00918 | 2/20 | 0.58 |
| ▸ | CA4 | P22748 | 2/20 | 0.58 |
| ▸ | CA6 | P23280 | 2/20 | 0.58 |
| ▸ | CA7 | P43166 | 2/20 | 0.58 |
| ▸ | CA9 | Q16790 | 2/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.58 |
| ▸ | CA3 | P07451 | 1/20 | 0.58 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | CA5A | P35218 | 1/20 | 0.58 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.58 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 3/20 | 0.45 |
| ▸ | TUBB | P07437 | 3/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11893913 | 0.90 | TPMT (0.54) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL1458531 | 0.89 | KMT2A (0.50) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL12492185 | 0.89 | TPMT (0.53) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL1458091 | 0.85 | TPMT (0.56) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL4039970 | 0.84 | MAPT (0.47) | TPMTCA12CA1CA2CA7 | |
| SCHEMBL8350902 | 0.84 | TPMT (0.59) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL28134645 | 0.83 | TPMT (0.54) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL6592 | 0.82 | TPMT (0.78) | TPMTCA12CA1CA2CA4 | |
| SCHEMBL8086426 | 0.80 | TPMT (0.51) | TPMTCA12CA1CA2CA4 | |
| 3,4,5-Trimethoxybenzoic Acid SCHEMBL9739818 | 0.80 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875631-B2 | e.g.1-(3,5-dichlorophenyl)-2-formyl-6-methoxy-1,2,3,4-tetrahydroisoquinoline; to prevent and/or treat cancer and other abnormal cell growth, and metabolic as well as blood vessel proliferate disorders, in which uncontrolled expression of insulin-like growth factor-1 receptor is observed | ANALYTECON S.A. (CH) | 2011-01-25 | — | — | US | disclosed |
| US-5824690-A | TREATING ASTHMA, COUGH | HOECHST MARION ROUSSEL INC. (US) | 1998-10-20 | — | — | US | disclosed |