Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMS | P04818 | 16/20 | 1.00 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | CSF1R | P07333 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | MMP13 | P45452 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9055086 | 0.86 | TYMS (1.00) | TYMS | |
| SCHEMBL9055601 | 0.81 | TYMS (1.00) | TYMSKDM4EMAPTHTTRECQL | |
| SCHEMBL9056927 | 0.70 | TYMS (1.00) | TYMSKDM4EMAPTHTTRECQL | |
| SCHEMBL9087202 | 0.69 | TYMS (1.00) | TYMSKDM4EMAPTHTTRECQL | |
| SCHEMBL9054866 | 0.64 | TYMS (0.47) | TYMSMAPTHTT | |
| SCHEMBL2392177 | 0.60 | CYP3A4 (0.47) | TYMSMAPTRECQL | |
| SCHEMBL12827301 | 0.58 | LOXL2 (0.42) | TYMSKDM4EMAPTMMP13 | |
| SCHEMBL12888743 | 0.57 | HDAC1 (0.49) | TYMSMAPT | |
| SCHEMBL1602718 | 0.57 | ALDH1A1 (0.56) | KDM4EMAPTMMP13 | |
| SCHEMBL27947483 | 0.57 | SMN1; SMN2 (0.50) | KDM4EMAPTMMP13 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5545744-A | Cyano naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| US-5498727-A | Preparation of benzindole compounds from naphthalene compounds | AGOURON PHARMACEUTICALS, INC. (US) | 1996-03-12 | — | — | US | disclosed |
| WO-1996002502-A1 | PREPARATION OF BENZINDOLE COMPOUNDS FROM NAPHTHALENE COMPOUNDS | AGOURON PHARMACEUTICALS, INC. (US) | 1996-02-01 | — | — | WO | disclosed |
| WO-1996002517-A1 | SUBSTITUTED ARYLSULFONAMIDES, THEIR PREPARATION AND USE AS THROMBIN-INHIBITING MEDICAMENTS | DR. KARL THOMAE GMBH (DE) | 1996-02-01 | — | — | WO | disclosed |