Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.38 |
| ▸ | TUBB1 | Q9H4B7 | 2/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.36 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.36 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.36 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.36 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4232719 | 1.00 | TRPA1 (0.41) | TRPA1NFE2L2TUBB1TUBB4ATUBB | |
| SCHEMBL2287959 | 1.00 | TRPA1 (0.41) | TRPA1NFE2L2TUBB1TUBB4ATUBB | |
| SCHEMBL8955394 | 0.78 | HDAC3 (0.34) | TRPA1ALDH1A1TSHRMAOBCYP2A6 | |
| SCHEMBL10932223 | 0.76 | MAPT (0.42) | TRPA1NFE2L2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL10932225 | 0.76 | MAPT (0.42) | TRPA1NFE2L2CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL7667578 | 0.75 | RELA (0.42) | TRPA1CYP1A2ALDH1A1TSHRMAOB | |
| SCHEMBL11045260 | 0.73 | CYP2A6 (0.48) | TUBB1TUBB4ATUBBTUBA3CTUBA1B | |
| Ammonia Solution, Strong SCHEMBL9795266 | 0.73 | ALDH1A1 (0.43) | TRPA1NFE2L2CYP1A2ALDH1A1TSHR | |
| SCHEMBL4333668 | 0.72 | ALDH1A1 (0.38) | TRPA1CYP1A1CYP1A2CYP1B1ALDH1A1 | |
| SCHEMBL4642859 | 0.72 | MEN1 (0.36) | CYP1A2ALDH1A1LMNAKDM4EMEN1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120942-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | Othera Holding, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008101195-A2 | DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE | OTHERA HOLDING, INC. (US) | 2008-08-21 | — | — | WO | disclosed |
| EP-0709375-B1 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2005-05-18 | — | — | EP | disclosed |
| US-6147083-A | NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. | ZENECA LIMITED (GB) | 2000-11-14 | — | — | US | disclosed |
| US-5998444-A | ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST | ZENECA LTD. (GB) | 1999-12-07 | — | — | US | disclosed |
| US-5710169-A | NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA | ZENECA LIMITED (GB) | 1998-01-20 | — | — | US | disclosed |
| EP-0709375-A2 | Therapeutic heterocycles | ZENECA LIMITED (GB) | 1996-05-01 | — | — | EP | disclosed |
| US-4576753-A | MICROBIOCIDES, ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1986-03-18 | — | — | US | disclosed |
| US-4472309-A | ANTIMICROBIAL | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1984-09-18 | — | — | US | disclosed |
| US-4304718-A | ANTIBIOTICS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-12-08 | — | — | US | disclosed |
| US-4181800-A | ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-01-01 | — | — | US | disclosed |